0 B18R3.174 Brc1cc(c2cc[nH]c2c1)C3=CCCCC3 271570a_100000062251_100009814761 [0,0,0,0,0,0|2,0,0]=2 1 B18R3.174 Brc1cc(c2cc[nH]c2c1)C3=CCCCO3 271570a_100010177797_100009814761 [0,0,0,0,0,0|3,0,0]=3 2 B18R3.174 Brc1cc(c2cc[nH]c2c1)C3=CCNCC3 271570a_100000731432_100009814761 [0,0,0,0,0,0|3,0,0]=3 3 B18R3.174 Brc1cc(c2cc[nH]c2c1)C3=CCOCC3 271570a_100000070234_100009814761 [0,0,0,0,0,0|3,0,0]=3 4 B18R3.174 Brc1cc(c2cc[nH]c2c1)C3=CCSCC3 271570a_100010232141_100009814761 [0,0,0,0,0,0|3,0,0]=3 5 B18R3.174 Brc1cc(c2cc[nH]c2c1)C3=COCCC3 271570a_100010175576_100009814761 [0,0,0,0,0,0|3,0,0]=3 6 B18R3.174 Brc1cc(c2cn[nH]c2c1)C3=CCCCC3 271570a_100000062251_100009814777 [0,0,0,0,0,0|3,0,0]=3 7 B18R3.174 Brc1cc(c2cn[nH]c2c1)C3=CCCCO3 271570a_100010177797_100009814777 [0,0,0,0,0,0|4,0,0]=4 8 B18R3.174 Brc1cc(c2cn[nH]c2c1)C3=CCNCC3 271570a_100000731432_100009814777 [0,0,0,0,0,0|4,0,0]=4 9 B18R3.174 Brc1cc(c2cn[nH]c2c1)C3=CCOCC3 271570a_100000070234_100009814777 [0,0,0,0,0,0|4,0,0]=4 10 B18R3.174 Brc1cc(c2cn[nH]c2c1)C3=CCSCC3 271570a_100010232141_100009814777 [0,0,0,0,0,0|4,0,0]=4 11 B18R3.174 Brc1cc(c2cn[nH]c2c1)C3=COCCC3 271570a_100010175576_100009814777 [0,0,0,0,0,0|4,0,0]=4 12 B18R3.174 Cc1cc(c2[nH]cnc2c1)C3=CCCCC3 271570a_100000062251_100010107307 [0,0,0,0,0,0|2,0,1]=3 13 B18R3.174 Cc1cc(c2[nH]cnc2c1)C3=CCCCO3 271570a_100010177797_100010107307 [0,0,0,0,0,0|3,0,1]=4 14 B18R3.174 Cc1cc(c2[nH]cnc2c1)C3=CCNCC3 271570a_100000731432_100010107307 [0,0,0,0,0,0|3,0,1]=4 15 B18R3.174 Cc1cc(c2[nH]cnc2c1)C3=CCOCC3 271570a_100000070234_100010107307 [0,0,0,0,0,0|3,0,1]=4 16 B18R3.174 Cc1cc(c2[nH]cnc2c1)C3=CCSCC3 271570a_100010232141_100010107307 [0,0,0,0,0,0|3,0,1]=4 17 B18R3.174 Cc1cc(c2[nH]cnc2c1)C3=COCCC3 271570a_100010175576_100010107307 [0,0,0,0,0,0|3,0,1]=4 18 B18R3.174 Cc1cc(c2[nH]ncc2c1)C3=CCCCC3 271570a_100000062251_100009816732 [0,0,0,0,0,0|4,0,0]=4 19 B18R3.174 Cc1cc(c2cc[nH]c2c1)C3=CCCCC3 271570a_100000062251_100010186026 [0,0,0,0,0,0|1,0,0]=1 20 B18R3.174 Cc1cc(c2cc[nH]c2c1)C3=CCCCO3 271570a_100010177797_100010186026 [0,0,0,0,0,0|2,0,0]=2 21 B18R3.174 Cc1cc(c2cc[nH]c2c1)C3=CCNCC3 271570a_100000731432_100010186026 [0,0,0,0,0,0|2,0,0]=2 22 B18R3.174 Cc1cc(c2cc[nH]c2c1)C3=CCOCC3 271570a_100000070234_100010186026 [0,0,0,0,0,0|2,0,0]=2 23 B18R3.174 Cc1cc(c2cc[nH]c2c1)C3=CCSCC3 271570a_100010232141_100010186026 [0,0,0,0,0,0|2,0,0]=2 24 B18R3.174 Cc1cc(c2cc[nH]c2c1)C3=COCCC3 271570a_100010175576_100010186026 [0,0,0,0,0,0|2,0,0]=2 25 B18R3.174 Cc1cc(c2cc[nH]c2c1)c3ccccc3 271570a_100011218836_100010186026 [0,0,0,0,0,0|1,0,3]=4 26 B18R3.174 Cc1cc(c2cc[nH]c2c1)c3ccccn3 271570a_100011264011_100010186026 [0,0,0,0,0,0|2,0,2]=4 27 B18R3.174 Cc1cc(c2cc[nH]c2c1)c3cccnc3 271570a_100000757648_100010186026 [0,0,0,0,0,0|0,0,4]=4 28 B18R3.174 Cc1cc(c2cc[nH]c2c1)c3ccncc3 271570a_100000752145_100010186026 [0,0,0,0,0,0|2,0,2]=4 29 B18R3.174 Cc1cc(c2cc[nH]c2c1)c3cnccn3 271570a_100011962566_100010186026 [0,0,0,0,0,0|3,0,1]=4 30 B18R3.174 Cc1cc(c2cc[nH]c2c1)c3cncnc3 271570a_100000707473_100010186026 [0,0,0,0,0,0|1,0,3]=4 31 B18R3.174 Cc1cc(c2cc[nH]c2n1)C3=CCCCC3 271570a_100000062251_100000095047 [0,0,0,0,0,0|2,0,0]=2 32 B18R3.174 Cc1cc(c2cc[nH]c2n1)C3=CCCCO3 271570a_100010177797_100000095047 [0,0,0,0,0,0|3,0,0]=3 33 B18R3.174 Cc1cc(c2cc[nH]c2n1)C3=CCNCC3 271570a_100000731432_100000095047 [0,0,0,0,0,0|3,0,0]=3 34 B18R3.174 Cc1cc(c2cc[nH]c2n1)C3=CCOCC3 271570a_100000070234_100000095047 [0,0,0,0,0,0|3,0,0]=3 35 B18R3.174 Cc1cc(c2cc[nH]c2n1)C3=CCSCC3 271570a_100010232141_100000095047 [0,0,0,0,0,0|3,0,0]=3 36 B18R3.174 Cc1cc(c2cc[nH]c2n1)C3=COCCC3 271570a_100010175576_100000095047 [0,0,0,0,0,0|3,0,0]=3 37 B18R3.174 Cc1cc(c2cn[nH]c2c1)C3=CCCCC3 271570a_100000062251_100009816876 [0,0,0,0,0,0|2,0,0]=2 38 B18R3.174 Cc1cc(c2cn[nH]c2c1)C3=CCCCO3 271570a_100010177797_100009816876 [0,0,0,0,0,0|3,0,0]=3 39 B18R3.174 Cc1cc(c2cn[nH]c2c1)C3=CCNCC3 271570a_100000731432_100009816876 [0,0,0,0,0,0|3,0,0]=3 40 B18R3.174 Cc1cc(c2cn[nH]c2c1)C3=CCOCC3 271570a_100000070234_100009816876 [0,0,0,0,0,0|3,0,0]=3 41 B18R3.174 Cc1cc(c2cn[nH]c2c1)C3=CCSCC3 271570a_100010232141_100009816876 [0,0,0,0,0,0|3,0,0]=3 42 B18R3.174 Cc1cc(c2cn[nH]c2c1)C3=COCCC3 271570a_100010175576_100009816876 [0,0,0,0,0,0|3,0,0]=3 43 B18R3.174 Cc1cc(c2nccn2c1)C3=CCCCC3 271570a_100000062251_100025775375 [0,0,0,0,0,0|4,0,0]=4 44 B18R3.174 Cc1cc(c2ncnn2c1)C3=CCCCC3 271570a_100000062251_100009817174 [0,0,0,0,0,0|3,0,1]=4 45 B18R3.174 Cc1cc(c2occc2c1)C3=CCCCC3 271570a_100000062251_100012361857 [0,0,0,0,0,0|3,0,0]=3 46 B18R3.174 Cc1cc(c2occc2c1)C3=CCCCO3 271570a_100010177797_100012361857 [0,0,0,0,0,0|4,0,0]=4 47 B18R3.174 Cc1cc(c2occc2c1)C3=CCNCC3 271570a_100000731432_100012361857 [0,0,0,0,0,0|4,0,0]=4 48 B18R3.174 Cc1cc(c2occc2c1)C3=CCOCC3 271570a_100000070234_100012361857 [0,0,0,0,0,0|4,0,0]=4 49 B18R3.174 Cc1cc(c2occc2c1)C3=CCSCC3 271570a_100010232141_100012361857 [0,0,0,0,0,0|4,0,0]=4 50 B18R3.174 Cc1cc(c2occc2c1)C3=COCCC3 271570a_100010175576_100012361857 [0,0,0,0,0,0|4,0,0]=4 51 B18R3.174 Cc1nc(c2cc[nH]c2n1)C3=CCCCC3 271570a_100000062251_100000092993 [0,0,0,0,0,0|3,0,0]=3 52 B18R3.174 Cc1nc(c2cc[nH]c2n1)C3=CCCCO3 271570a_100010177797_100000092993 [0,0,0,0,0,0|4,0,0]=4 53 B18R3.174 Cc1nc(c2cc[nH]c2n1)C3=CCNCC3 271570a_100000731432_100000092993 [0,0,0,0,0,0|4,0,0]=4 54 B18R3.174 Cc1nc(c2cc[nH]c2n1)C3=CCOCC3 271570a_100000070234_100000092993 [0,0,0,0,0,0|4,0,0]=4 55 B18R3.174 Cc1nc(c2cc[nH]c2n1)C3=CCSCC3 271570a_100010232141_100000092993 [0,0,0,0,0,0|4,0,0]=4 56 B18R3.174 Cc1nc(c2cc[nH]c2n1)C3=COCCC3 271570a_100010175576_100000092993 [0,0,0,0,0,0|4,0,0]=4 57 B18R3.174 Cc1nc(c2ccsc2n1)C3=CCCCC3 271570a_100000062251_100000183124 [0,0,0,0,0,0|4,0,0]=4 58 B18R3.174 Cc1nc(c2cn[nH]c2n1)C3=CCCCC3 271570a_100000062251_100000745003 [0,0,0,0,0,0|4,0,0]=4 59 B18R3.174 Clc1cc(c2cn[nH]c2c1)C3=CCCCC3 271570a_100000062251_100000050163 [0,0,0,0,0,0|3,0,0]=3 60 B18R3.174 Clc1cc(c2cn[nH]c2c1)C3=CCCCO3 271570a_100010177797_100000050163 [0,0,0,0,0,0|4,0,0]=4 61 B18R3.174 Clc1cc(c2cn[nH]c2c1)C3=CCNCC3 271570a_100000731432_100000050163 [0,0,0,0,0,0|4,0,0]=4 62 B18R3.174 Clc1cc(c2cn[nH]c2c1)C3=CCOCC3 271570a_100000070234_100000050163 [0,0,0,0,0,0|4,0,0]=4 63 B18R3.174 Clc1cc(c2cn[nH]c2c1)C3=CCSCC3 271570a_100010232141_100000050163 [0,0,0,0,0,0|4,0,0]=4 64 B18R3.174 Clc1cc(c2cn[nH]c2c1)C3=COCCC3 271570a_100010175576_100000050163 [0,0,0,0,0,0|4,0,0]=4 65 B18R3.174 Fc1cc(c2[nH]ccc2c1)C3=CCCCC3 271570a_100000062251_100010138379 [0,0,0,0,0,0|4,0,0]=4 66 B18R3.174 Fc1cc(c2cc[nH]c2c1)C3=CCCCC3 271570a_100000062251_100010188273 [0,0,0,0,0,0|2,0,0]=2 67 B18R3.174 Fc1cc(c2cc[nH]c2c1)C3=CCCCO3 271570a_100010177797_100010188273 [0,0,0,0,0,0|3,0,0]=3 68 B18R3.174 Fc1cc(c2cc[nH]c2c1)C3=CCNCC3 271570a_100000731432_100010188273 [0,0,0,0,0,0|3,0,0]=3 69 B18R3.174 Fc1cc(c2cc[nH]c2c1)C3=CCOCC3 271570a_100000070234_100010188273 [0,0,0,0,0,0|3,0,0]=3 70 B18R3.174 Fc1cc(c2cc[nH]c2c1)C3=CCSCC3 271570a_100010232141_100010188273 [0,0,0,0,0,0|3,0,0]=3 71 B18R3.174 Fc1cc(c2cc[nH]c2c1)C3=COCCC3 271570a_100010175576_100010188273 [0,0,0,0,0,0|3,0,0]=3 72 B18R3.174 Fc1cc(c2cn[nH]c2c1)C3=CCCCC3 271570a_100000062251_100010185992 [0,0,0,0,0,0|3,0,0]=3 73 B18R3.174 Fc1cc(c2cn[nH]c2c1)C3=CCCCO3 271570a_100010177797_100010185992 [0,0,0,0,0,0|4,0,0]=4 74 B18R3.174 Fc1cc(c2cn[nH]c2c1)C3=CCNCC3 271570a_100000731432_100010185992 [0,0,0,0,0,0|4,0,0]=4 75 B18R3.174 Fc1cc(c2cn[nH]c2c1)C3=CCOCC3 271570a_100000070234_100010185992 [0,0,0,0,0,0|4,0,0]=4 76 B18R3.174 Fc1cc(c2cn[nH]c2c1)C3=CCSCC3 271570a_100010232141_100010185992 [0,0,0,0,0,0|4,0,0]=4 77 B18R3.174 Fc1cc(c2cn[nH]c2c1)C3=COCCC3 271570a_100010175576_100010185992 [0,0,0,0,0,0|4,0,0]=4 78 B18R3.174 Fc1cc(c2cn[nH]c2n1)C3=CCCCC3 271570a_100000062251_103551249018 [0,0,0,0,0,0|4,0,0]=4 79 B18R3.174 Fc1cc(c2nc[nH]c2c1)C3=CCCCC3 271570a_100000062251_100010192642 [0,0,0,0,0,0|3,0,0]=3 80 B18R3.174 Fc1cc(c2nc[nH]c2c1)C3=CCCCO3 271570a_100010177797_100010192642 [0,0,0,0,0,0|4,0,0]=4 81 B18R3.174 Fc1cc(c2nc[nH]c2c1)C3=CCNCC3 271570a_100000731432_100010192642 [0,0,0,0,0,0|4,0,0]=4 82 B18R3.174 Fc1cc(c2nc[nH]c2c1)C3=CCOCC3 271570a_100000070234_100010192642 [0,0,0,0,0,0|4,0,0]=4 83 B18R3.174 Fc1cc(c2nc[nH]c2c1)C3=CCSCC3 271570a_100010232141_100010192642 [0,0,0,0,0,0|4,0,0]=4 84 B18R3.174 Fc1cc(c2nc[nH]c2c1)C3=COCCC3 271570a_100010175576_100010192642 [0,0,0,0,0,0|4,0,0]=4 85 B18R3.174 Fc1cc(c2ncoc2c1)C3=CCCCC3 271570a_100000062251_100016120941 [0,0,0,0,0,0|4,0,0]=4 86 B18R3.174 Fc1cc(c2occc2c1)C3=CCCCC3 271570a_100000062251_100011935139 [0,0,0,0,0,0|4,0,0]=4 87 B18R3.174 Nc1cc(c2cc[nH]c2c1)C3=CCCCC3 271570a_100000062251_100010006569 [0,0,0,0,0,0|2,0,0]=2 88 B18R3.174 Nc1cc(c2cc[nH]c2c1)C3=CCCCO3 271570a_100010177797_100010006569 [0,0,0,0,0,0|3,0,0]=3 89 B18R3.174 Nc1cc(c2cc[nH]c2c1)C3=CCNCC3 271570a_100000731432_100010006569 [0,0,0,0,0,0|3,0,0]=3 90 B18R3.174 Nc1cc(c2cc[nH]c2c1)C3=CCOCC3 271570a_100000070234_100010006569 [0,0,0,0,0,0|3,0,0]=3 91 B18R3.174 Nc1cc(c2cc[nH]c2c1)C3=CCSCC3 271570a_100010232141_100010006569 [0,0,0,0,0,0|3,0,0]=3 92 B18R3.174 Nc1cc(c2cc[nH]c2c1)C3=COCCC3 271570a_100010175576_100010006569 [0,0,0,0,0,0|3,0,0]=3 93 B18R3.174 Nc1cc(c2cc[nH]c2n1)C3=CCCCC3 271570a_100000062251_100009864914 [0,0,0,0,0,0|3,0,0]=3 94 B18R3.174 Nc1cc(c2cc[nH]c2n1)C3=CCCCO3 271570a_100010177797_100009864914 [0,0,0,0,0,0|4,0,0]=4 95 B18R3.174 Nc1cc(c2cc[nH]c2n1)C3=CCNCC3 271570a_100000731432_100009864914 [0,0,0,0,0,0|4,0,0]=4 96 B18R3.174 Nc1cc(c2cc[nH]c2n1)C3=CCOCC3 271570a_100000070234_100009864914 [0,0,0,0,0,0|4,0,0]=4 97 B18R3.174 Nc1cc(c2cc[nH]c2n1)C3=CCSCC3 271570a_100010232141_100009864914 [0,0,0,0,0,0|4,0,0]=4 98 B18R3.174 Nc1cc(c2cc[nH]c2n1)C3=COCCC3 271570a_100010175576_100009864914 [0,0,0,0,0,0|4,0,0]=4 99 B18R3.174 Nc1cc(c2cn[nH]c2c1)C3=CCCCC3 271570a_100000062251_100010185947 [0,0,0,0,0,0|3,0,0]=3 100 B18R3.174 Nc1cc(c2cn[nH]c2c1)C3=CCCCO3 271570a_100010177797_100010185947 [0,0,0,0,0,0|4,0,0]=4 101 B18R3.174 Nc1cc(c2cn[nH]c2c1)C3=CCNCC3 271570a_100000731432_100010185947 [0,0,0,0,0,0|4,0,0]=4 102 B18R3.174 Nc1cc(c2cn[nH]c2c1)C3=CCOCC3 271570a_100000070234_100010185947 [0,0,0,0,0,0|4,0,0]=4 103 B18R3.174 Nc1cc(c2cn[nH]c2c1)C3=CCSCC3 271570a_100010232141_100010185947 [0,0,0,0,0,0|4,0,0]=4 104 B18R3.174 Nc1cc(c2cn[nH]c2c1)C3=COCCC3 271570a_100010175576_100010185947 [0,0,0,0,0,0|4,0,0]=4 105 B18R3.174 Nc1cc(c2scnc2c1)C3=CCCCC3 271570a_100000062251_200010333430 [0,0,0,0,0,0|3,0,1]=4 106 B18R3.174 Oc1cc(c2occc2c1)C3=CCCCC3 271570a_100000062251_200010248604 [0,0,0,0,0,0|4,0,0]=4 107 B17R3.8707 C1=C(CCCC1)c2cccc3c2CCN3 271570a_100000062251_100009817896 [1,0,0,0,0,0|1,0,2]=4 108 B17R3.8707 C1=C(CCCC1)c2cccc3c2[nH]cc3 271570a_100000062251_100009813418 [1,0,0,0,0,0|3,0,0]=4 109 B17R3.8707 C1=C(CCCC1)c2cccc3c2cc[nH]3 271570a_100000062251_100000685724 [1,0,0,0,0,0|1,0,0]=2 110 B17R3.8707 C1=C(CCCC1)c2cccc3c2cco3 271570a_100000062251_100000756496 [1,0,0,0,0,0|2,0,0]=3 111 B17R3.8707 C1=C(CCCC1)c2cccc3c2ccs3 271570a_100000062251_100009816950 [1,0,0,0,0,0|2,0,0]=3 112 B17R3.8707 C1=C(CCCC1)c2cccc3c2cn[nH]3 271570a_100000062251_100000753301 [1,0,0,0,0,0|2,0,0]=3 113 B17R3.8707 C1=C(CCCC1)c2cccc3c2cno3 271570a_100000062251_100009818589 [1,0,0,0,0,0|3,0,0]=4 114 B17R3.8707 C1=C(CCCC1)c2cccc3c2nc[nH]3 271570a_100000062251_100011935113 [1,0,0,0,0,0|2,0,0]=3 115 B17R3.8707 C1=C(CCCC1)c2cccc3c2nco3 271570a_100000062251_100009816834 [1,0,0,0,0,0|3,0,0]=4 116 B17R3.8707 C1=C(CCCC1)c2cccc3c2ncs3 271570a_100000062251_100000726125 [1,0,0,0,0,0|3,0,0]=4 117 B17R3.8707 C1=C(CCCC1)c2cccc3c2occ3 271570a_100000062251_100011935138 [1,0,0,0,0,0|3,0,0]=4 118 B17R3.8707 C1=C(CCCC1)c2cccc3c2ocn3 271570a_100000062251_100000728214 [1,0,0,0,0,0|2,0,1]=4 119 B17R3.8707 C1=C(CCCC1)c2cccc3c2scc3 271570a_100000062251_100000766737 [1,0,0,0,0,0|3,0,0]=4 120 B17R3.8707 C1=C(CCCC1)c2cccc3c2scn3 271570a_100000062251_100010246326 [1,0,0,0,0,0|2,0,1]=4 121 B17R3.8707 C1=C(CCCC1)c2cccc3n2ccn3 271570a_100000062251_100000762677 [1,0,0,0,0,0|2,0,1]=4 122 B17R3.8707 C1=C(CCCC1)c2cccn3c2ccn3 271570a_100000062251_100010767162 [1,0,0,0,0,0|2,0,1]=4 123 B17R3.8707 C1=C(CCCC1)c2ccnc3c2cc[nH]3 271570a_100000062251_100000049914 [1,0,0,0,0,0|2,0,0]=3 124 B17R3.8707 C1=C(CCCC1)c2ccnc3c2ccs3 271570a_100000062251_100009861243 [1,0,0,0,0,0|3,0,0]=4 125 B17R3.8707 C1=C(CCCC1)c2ccnc3c2cn[nH]3 271570a_100000062251_100009819725 [1,0,0,0,0,0|3,0,0]=4 126 B17R3.8707 C1=C(CCCC1)c2ccnc3c2nc[nH]3 271570a_100000062251_100009820729 [1,0,0,0,0,0|3,0,0]=4 127 B17R3.8707 C1=C(CCCC1)c2cncc3c2cc[nH]3 271570a_100000062251_100009840476 [1,0,0,0,0,0|2,0,0]=3 128 B17R3.8707 C1=C(CCCC1)c2cncc3c2cn[nH]3 271570a_100000062251_100009819959 [1,0,0,0,0,0|3,0,0]=4 129 B17R3.8707 C1=C(CCCC1)c2nccc3c2cc[nH]3 271570a_100000062251_100000086534 [1,0,0,0,0,0|2,0,0]=3 130 B17R3.8707 C1=C(CCCC1)c2nccc3c2cco3 271570a_100000062251_100000041166 [1,0,0,0,0,0|3,0,0]=4 131 B17R3.8707 C1=C(CCCC1)c2nccc3c2ccs3 271570a_100000062251_100000047778 [1,0,0,0,0,0|3,0,0]=4 132 B17R3.8707 C1=C(CCCC1)c2nccc3c2cn[nH]3 271570a_100000062251_100102525074 [1,0,0,0,0,0|3,0,0]=4 133 B17R3.8707 C1=C(CCCC1)c2nccc3c2nc[nH]3 271570a_100000062251_100009820035 [1,0,0,0,0,0|3,0,0]=4 134 B17R3.8707 C1=C(CCCO1)c2cccc3c2cc[nH]3 271570a_100010175576_100000685724 [1,0,0,0,0,0|2,0,0]=3 135 B17R3.8707 C1=C(CCCO1)c2cccc3c2cco3 271570a_100010175576_100000756496 [1,0,0,0,0,0|3,0,0]=4 136 B17R3.8707 C1=C(CCCO1)c2cccc3c2ccs3 271570a_100010175576_100009816950 [1,0,0,0,0,0|3,0,0]=4 137 B17R3.8707 C1=C(CCCO1)c2cccc3c2cn[nH]3 271570a_100010175576_100000753301 [1,0,0,0,0,0|3,0,0]=4 138 B17R3.8707 C1=C(CCCO1)c2cccc3c2nc[nH]3 271570a_100010175576_100011935113 [1,0,0,0,0,0|3,0,0]=4 139 B17R3.8707 C1=C(CCCO1)c2ccnc3c2cc[nH]3 271570a_100010175576_100000049914 [1,0,0,0,0,0|3,0,0]=4 140 B17R3.8707 C1=C(CCCO1)c2cncc3c2cc[nH]3 271570a_100010175576_100009840476 [1,0,0,0,0,0|3,0,0]=4 141 B17R3.8707 C1=C(CCCO1)c2nccc3c2cc[nH]3 271570a_100010175576_100000086534 [1,0,0,0,0,0|3,0,0]=4 142 B17R3.8707 C1=C(CCNC1)c2cccc3c2cc[nH]3 271570a_100000731432_100000685724 [1,0,0,0,0,0|2,0,0]=3 143 B17R3.8707 C1=C(CCNC1)c2cccc3c2cco3 271570a_100000731432_100000756496 [1,0,0,0,0,0|3,0,0]=4 144 B17R3.8707 C1=C(CCNC1)c2cccc3c2ccs3 271570a_100000731432_100009816950 [1,0,0,0,0,0|3,0,0]=4 145 B17R3.8707 C1=C(CCNC1)c2cccc3c2cn[nH]3 271570a_100000731432_100000753301 [1,0,0,0,0,0|3,0,0]=4 146 B17R3.8707 C1=C(CCNC1)c2cccc3c2nc[nH]3 271570a_100000731432_100011935113 [1,0,0,0,0,0|3,0,0]=4 147 B17R3.8707 C1=C(CCNC1)c2ccnc3c2cc[nH]3 271570a_100000731432_100000049914 [1,0,0,0,0,0|3,0,0]=4 148 B17R3.8707 C1=C(CCNC1)c2cncc3c2cc[nH]3 271570a_100000731432_100009840476 [1,0,0,0,0,0|3,0,0]=4 149 B17R3.8707 C1=C(CCNC1)c2nccc3c2cc[nH]3 271570a_100000731432_100000086534 [1,0,0,0,0,0|3,0,0]=4 150 B17R3.8707 C1=C(CCOC1)c2cccc3c2cc[nH]3 271570a_100000070234_100000685724 [1,0,0,0,0,0|2,0,0]=3 151 B17R3.8707 C1=C(CCOC1)c2cccc3c2cco3 271570a_100000070234_100000756496 [1,0,0,0,0,0|3,0,0]=4 152 B17R3.8707 C1=C(CCOC1)c2cccc3c2ccs3 271570a_100000070234_100009816950 [1,0,0,0,0,0|3,0,0]=4 153 B17R3.8707 C1=C(CCOC1)c2cccc3c2cn[nH]3 271570a_100000070234_100000753301 [1,0,0,0,0,0|3,0,0]=4 154 B17R3.8707 C1=C(CCOC1)c2cccc3c2nc[nH]3 271570a_100000070234_100011935113 [1,0,0,0,0,0|3,0,0]=4 155 B17R3.8707 C1=C(CCOC1)c2ccnc3c2cc[nH]3 271570a_100000070234_100000049914 [1,0,0,0,0,0|3,0,0]=4 156 B17R3.8707 C1=C(CCOC1)c2cncc3c2cc[nH]3 271570a_100000070234_100009840476 [1,0,0,0,0,0|3,0,0]=4 157 B17R3.8707 C1=C(CCOC1)c2nccc3c2cc[nH]3 271570a_100000070234_100000086534 [1,0,0,0,0,0|3,0,0]=4 158 B17R3.8707 C1=C(CCSC1)c2cccc3c2cc[nH]3 271570a_100010232141_100000685724 [1,0,0,0,0,0|2,0,0]=3 159 B17R3.8707 C1=C(CCSC1)c2cccc3c2cco3 271570a_100010232141_100000756496 [1,0,0,0,0,0|3,0,0]=4 160 B17R3.8707 C1=C(CCSC1)c2cccc3c2ccs3 271570a_100010232141_100009816950 [1,0,0,0,0,0|3,0,0]=4 161 B17R3.8707 C1=C(CCSC1)c2cccc3c2cn[nH]3 271570a_100010232141_100000753301 [1,0,0,0,0,0|3,0,0]=4 162 B17R3.8707 C1=C(CCSC1)c2cccc3c2nc[nH]3 271570a_100010232141_100011935113 [1,0,0,0,0,0|3,0,0]=4 163 B17R3.8707 C1=C(CCSC1)c2ccnc3c2cc[nH]3 271570a_100010232141_100000049914 [1,0,0,0,0,0|3,0,0]=4 164 B17R3.8707 C1=C(CCSC1)c2cncc3c2cc[nH]3 271570a_100010232141_100009840476 [1,0,0,0,0,0|3,0,0]=4 165 B17R3.8707 C1=C(CCSC1)c2nccc3c2cc[nH]3 271570a_100010232141_100000086534 [1,0,0,0,0,0|3,0,0]=4 166 B17R3.8707 C1=C(OCCC1)c2cccc3c2cc[nH]3 271570a_100010177797_100000685724 [1,0,0,0,0,0|2,0,0]=3 167 B17R3.8707 C1=C(OCCC1)c2cccc3c2cco3 271570a_100010177797_100000756496 [1,0,0,0,0,0|3,0,0]=4 168 B17R3.8707 C1=C(OCCC1)c2cccc3c2ccs3 271570a_100010177797_100009816950 [1,0,0,0,0,0|3,0,0]=4 169 B17R3.8707 C1=C(OCCC1)c2cccc3c2cn[nH]3 271570a_100010177797_100000753301 [1,0,0,0,0,0|3,0,0]=4 170 B17R3.8707 C1=C(OCCC1)c2cccc3c2nc[nH]3 271570a_100010177797_100011935113 [1,0,0,0,0,0|3,0,0]=4 171 B17R3.8707 C1=C(OCCC1)c2ccnc3c2cc[nH]3 271570a_100010177797_100000049914 [1,0,0,0,0,0|3,0,0]=4 172 B17R3.8707 C1=C(OCCC1)c2cncc3c2cc[nH]3 271570a_100010177797_100009840476 [1,0,0,0,0,0|3,0,0]=4 173 B17R3.8707 C1=C(OCCC1)c2nccc3c2cc[nH]3 271570a_100010177797_100000086534 [1,0,0,0,0,0|3,0,0]=4 174 B17R3.8707 C1=Cc2cccc(c2C1)C3=CCCCC3 271570a_100000062251_100009844718 [1,0,0,0,0,0|2,0,1]=4 175 B19R3.328 Cc1cc(c2nc(sc2c1)N)C3=CCCCC3 271570a_100000062251_200011246637 [0,1,0,0,0,0|3,0,0]=4 176 B19R3.506 COc1cc(c2cc[nH]c2c1)C3=CCCCC3 271570a_100000062251_100010006585 [0,1,0,0,0,0|1,0,0]=2 177 B19R3.506 COc1cc(c2cc[nH]c2c1)C3=CCCCO3 271570a_100010177797_100010006585 [0,1,0,0,0,0|2,0,0]=3 178 B19R3.506 COc1cc(c2cc[nH]c2c1)C3=CCNCC3 271570a_100000731432_100010006585 [0,1,0,0,0,0|2,0,0]=3 179 B19R3.506 COc1cc(c2cc[nH]c2c1)C3=CCOCC3 271570a_100000070234_100010006585 [0,1,0,0,0,0|2,0,0]=3 180 B19R3.506 COc1cc(c2cc[nH]c2c1)C3=CCSCC3 271570a_100010232141_100010006585 [0,1,0,0,0,0|2,0,0]=3 181 B19R3.506 COc1cc(c2cc[nH]c2c1)C3=COCCC3 271570a_100010175576_100010006585 [0,1,0,0,0,0|2,0,0]=3 182 B19R3.506 COc1cc(c2ccnn2c1)C3=CCCCC3 271570a_100000062251_100010739841 [0,1,0,0,0,0|2,0,1]=4 183 B19R3.506 COc1cc(c2cn[nH]c2c1)C3=CCCCC3 271570a_100000062251_100010188275 [0,1,0,0,0,0|2,0,0]=3 184 B19R3.506 COc1cc(c2cn[nH]c2c1)C3=CCCCO3 271570a_100010177797_100010188275 [0,1,0,0,0,0|3,0,0]=4 185 B19R3.506 COc1cc(c2cn[nH]c2c1)C3=CCNCC3 271570a_100000731432_100010188275 [0,1,0,0,0,0|3,0,0]=4 186 B19R3.506 COc1cc(c2cn[nH]c2c1)C3=CCOCC3 271570a_100000070234_100010188275 [0,1,0,0,0,0|3,0,0]=4 187 B19R3.506 COc1cc(c2cn[nH]c2c1)C3=CCSCC3 271570a_100010232141_100010188275 [0,1,0,0,0,0|3,0,0]=4 188 B19R3.506 COc1cc(c2cn[nH]c2c1)C3=COCCC3 271570a_100010175576_100010188275 [0,1,0,0,0,0|3,0,0]=4 189 B19R3.506 COc1cc(c2nc[nH]c2c1)C3=CCCCC3 271570a_100000062251_100102526192 [0,1,0,0,0,0|2,0,0]=3 190 B19R3.506 COc1cc(c2nc[nH]c2c1)C3=CCCCO3 271570a_100010177797_100102526192 [0,1,0,0,0,0|3,0,0]=4 191 B19R3.506 COc1cc(c2nc[nH]c2c1)C3=CCNCC3 271570a_100000731432_100102526192 [0,1,0,0,0,0|3,0,0]=4 192 B19R3.506 COc1cc(c2nc[nH]c2c1)C3=CCOCC3 271570a_100000070234_100102526192 [0,1,0,0,0,0|3,0,0]=4 193 B19R3.506 COc1cc(c2nc[nH]c2c1)C3=CCSCC3 271570a_100010232141_100102526192 [0,1,0,0,0,0|3,0,0]=4 194 B19R3.506 COc1cc(c2nc[nH]c2c1)C3=COCCC3 271570a_100010175576_100102526192 [0,1,0,0,0,0|3,0,0]=4 195 B19R3.506 CSc1nc(c2cc[nH]c2n1)C3=CCCCC3 271570a_100000062251_100000090414 [0,1,0,0,0,0|3,0,0]=4 196 B19R3.506 N#Cc1cc(c2cc[nH]c2c1)C3=CCCCC3 271570a_100000062251_100000694428 [0,1,0,0,0,0|1,0,1]=3 197 B19R3.506 N#Cc1cc(c2cc[nH]c2c1)C3=CCCCO3 271570a_100010177797_100000694428 [0,1,0,0,0,0|2,0,1]=4 198 B19R3.506 N#Cc1cc(c2cc[nH]c2c1)C3=CCNCC3 271570a_100000731432_100000694428 [0,1,0,0,0,0|2,0,1]=4 199 B19R3.506 N#Cc1cc(c2cc[nH]c2c1)C3=CCOCC3 271570a_100000070234_100000694428 [0,1,0,0,0,0|2,0,1]=4 200 B19R3.506 N#Cc1cc(c2cc[nH]c2c1)C3=CCSCC3 271570a_100010232141_100000694428 [0,1,0,0,0,0|2,0,1]=4 201 B19R3.506 N#Cc1cc(c2cc[nH]c2c1)C3=COCCC3 271570a_100010175576_100000694428 [0,1,0,0,0,0|2,0,1]=4 202 B19R3.506 N#Cc1cc(c2cc[nH]c2n1)C3=CCCCC3 271570a_100000062251_100009847305 [0,1,0,0,0,0|2,0,1]=4 203 B19R3.506 N#Cc1cc(c2cn[nH]c2c1)C3=CCCCC3 271570a_100000062251_100010195929 [0,1,0,0,0,0|2,0,1]=4 204 B19R3.506 N#Cc1cc(c2nc[nH]c2c1)C3=CCCCC3 271570a_100000062251_100010718406 [0,1,0,0,0,0|2,0,1]=4 205 B19R3.5829 Cc1cc2c(ncn2C)c(n1)C3=CCCCC3 271570a_100000062251_100000091626 [0,1,0,0,0,0|3,0,0]=4 206 B19R3.69975 Cc1c(cc2[nH]ncc2c1C3=CCCCC3)F 271570a_100000062251_106726393321 [0,1,0,0,0,0|3,0,0]=4 207 B19R3.2130831 CC1CC=C(CC1)c2cc(cc3c2cc[nH]3)Br 271570a_100010240233_100009814761 [0,1,0,0,0,0|2,0,0]=3 208 B19R3.2130831 CC1CC=C(CC1)c2cc(cc3c2cc[nH]3)F 271570a_100010240233_100010188273 [0,1,0,0,0,0|2,0,0]=3 209 B19R3.2130831 CC1CC=C(CC1)c2cc(cc3c2cc[nH]3)N 271570a_100010240233_100010006569 [0,1,0,0,0,0|2,0,0]=3 210 B19R3.2130831 CC1CC=C(CC1)c2cc(cc3c2cn[nH]3)Br 271570a_100010240233_100009814777 [0,1,0,0,0,0|3,0,0]=4 211 B19R3.2130831 CC1CC=C(CC1)c2cc(cc3c2cn[nH]3)Cl 271570a_100010240233_100000050163 [0,1,0,0,0,0|3,0,0]=4 212 B19R3.2130831 CC1CC=C(CC1)c2cc(cc3c2cn[nH]3)F 271570a_100010240233_100010185992 [0,1,0,0,0,0|3,0,0]=4 213 B19R3.2130831 CC1CC=C(CC1)c2cc(cc3c2cn[nH]3)N 271570a_100010240233_100010185947 [0,1,0,0,0,0|3,0,0]=4 214 B19R3.2130831 CC1CC=C(CC1)c2cc(cc3c2nc[nH]3)F 271570a_100010240233_100010192642 [0,1,0,0,0,0|3,0,0]=4 215 B19R3.2130831 CC1CC=C(CC1)c2cc(nc3c2cc[nH]3)N 271570a_100010240233_100009864914 [0,1,0,0,0,0|3,0,0]=4 216 B19R3.2130831 Cc1cc(c2[nH]cnc2c1)C3=CCC(CC3)C 271570a_100010240233_100010107307 [0,1,0,0,0,0|2,0,1]=4 217 B19R3.2130831 Cc1cc(c2[nH]cnc2c1)C3=CCC(CC3)O 271570a_100010254553_100010107307 [0,1,0,0,0,0|2,0,1]=4 218 B19R3.2130831 Cc1cc(c2cc[nH]c2c1)C3=CCC(CC3)C 271570a_100010240233_100010186026 [0,1,0,0,0,0|1,0,0]=2 219 B19R3.2130831 Cc1cc(c2cc[nH]c2c1)C3=CCC(CC3)O 271570a_100010254553_100010186026 [0,1,0,0,0,0|1,0,0]=2 220 B19R3.2130831 Cc1cc(c2cc[nH]c2c1)c3cnc(=O)[nH]c3 271570a_100000079150_100010186026 [0,1,0,0,0,0|1,0,2]=4 221 B19R3.2130831 Cc1cc(c2cc[nH]c2n1)C3=CCC(CC3)C 271570a_100010240233_100000095047 [0,1,0,0,0,0|2,0,0]=3 222 B19R3.2130831 Cc1cc(c2cc[nH]c2n1)C3=CCC(CC3)O 271570a_100010254553_100000095047 [0,1,0,0,0,0|2,0,0]=3 223 B19R3.2130831 Cc1cc(c2cn[nH]c2c1)C3=CCC(CC3)C 271570a_100010240233_100009816876 [0,1,0,0,0,0|2,0,0]=3 224 B19R3.2130831 Cc1cc(c2cn[nH]c2c1)C3=CCC(CC3)O 271570a_100010254553_100009816876 [0,1,0,0,0,0|2,0,0]=3 225 B19R3.2130831 Cc1cc(c2occc2c1)C3=CCC(CC3)C 271570a_100010240233_100012361857 [0,1,0,0,0,0|3,0,0]=4 226 B19R3.2130831 Cc1cc(c2occc2c1)C3=CCC(CC3)O 271570a_100010254553_100012361857 [0,1,0,0,0,0|3,0,0]=4 227 B19R3.2130831 Cc1nc(c2cc[nH]c2n1)C3=CCC(CC3)C 271570a_100010240233_100000092993 [0,1,0,0,0,0|3,0,0]=4 228 B19R3.2130831 Cc1nc(c2cc[nH]c2n1)C3=CCC(CC3)O 271570a_100010254553_100000092993 [0,1,0,0,0,0|3,0,0]=4 229 B19R3.2130831 Nc1cc(c2cc[nH]c2c1)C3=CCC(CC3)O 271570a_100010254553_100010006569 [0,1,0,0,0,0|2,0,0]=3 230 B19R3.2130831 Nc1cc(c2cc[nH]c2n1)C3=CCC(CC3)O 271570a_100010254553_100009864914 [0,1,0,0,0,0|3,0,0]=4 231 B19R3.2130831 Nc1cc(c2cn[nH]c2c1)C3=CCC(CC3)O 271570a_100010254553_100010185947 [0,1,0,0,0,0|3,0,0]=4 232 B19R3.2130831 OC1CC=C(CC1)c2cc(cc3c2cc[nH]3)Br 271570a_100010254553_100009814761 [0,1,0,0,0,0|2,0,0]=3 233 B19R3.2130831 OC1CC=C(CC1)c2cc(cc3c2cc[nH]3)F 271570a_100010254553_100010188273 [0,1,0,0,0,0|2,0,0]=3 234 B19R3.2130831 OC1CC=C(CC1)c2cc(cc3c2cn[nH]3)Br 271570a_100010254553_100009814777 [0,1,0,0,0,0|3,0,0]=4 235 B19R3.2130831 OC1CC=C(CC1)c2cc(cc3c2cn[nH]3)Cl 271570a_100010254553_100000050163 [0,1,0,0,0,0|3,0,0]=4 236 B19R3.2130831 OC1CC=C(CC1)c2cc(cc3c2cn[nH]3)F 271570a_100010254553_100010185992 [0,1,0,0,0,0|3,0,0]=4 237 B19R3.2130831 OC1CC=C(CC1)c2cc(cc3c2nc[nH]3)F 271570a_100010254553_100010192642 [0,1,0,0,0,0|3,0,0]=4 238 B19R3.2145860 Cc1cc(c2cc[nH]c2c1)C3=CC(=O)CCC3 271570a_100000723966_100010186026 [0,1,0,0,0,0|1,0,1]=3 239 B19R3.2145860 Cc1cc(c2cc[nH]c2n1)C3=CC(=O)CCC3 271570a_100000723966_100000095047 [0,1,0,0,0,0|2,0,1]=4 240 B19R3.2145860 Cc1cc(c2cn[nH]c2c1)C3=CC(=O)CCC3 271570a_100000723966_100009816876 [0,1,0,0,0,0|2,0,1]=4 241 B19R3.2145860 Nc1cc(c2cc[nH]c2c1)C3=CC(=O)CCC3 271570a_100000723966_100010006569 [0,1,0,0,0,0|2,0,1]=4 242 B19R3.2145860 O=C1C=C(CCC1)c2cc(cc3c2cc[nH]3)Br 271570a_100000723966_100009814761 [0,1,0,0,0,0|2,0,1]=4 243 B19R3.2145860 O=C1C=C(CCC1)c2cc(cc3c2cc[nH]3)F 271570a_100000723966_100010188273 [0,1,0,0,0,0|2,0,1]=4 244 B19R3.2370798 Cc1cc(c2cc[nH]c2c1)c3ccc[nH]c3=O 271570a_100000099769_100010186026 [0,1,0,0,0,0|0,0,3]=4 245 B17R2.17866 Cc1cc(c(c(c1)C2=CCCCC2)C=O)F 271570a_100000062251_100010341274 [0,0,1,0,0,0|3,0,0]=4 246 B17R2.46861 C=CCCCSc1cc(cc2c1cc[nH]2)C 62a_100011713584_100010186026 [0,0,1,0,0,0|2,0,1]=4 247 B17R2.46861 CCCCC=Cc1cc(cc2c1[nH]cn2)C 271570a_100016275911_100010107307 [0,0,1,0,0,0|2,0,1]=4 248 B17R2.46861 CCCCC=Cc1cc(cc2c1cc[nH]2)Br 271570a_100016275911_100009814761 [0,0,1,0,0,0|2,0,0]=3 249 B17R2.46861 CCCCC=Cc1cc(cc2c1cc[nH]2)C 271570a_100016275911_100010186026 [0,0,1,0,0,0|1,0,0]=2 250 B17R2.46861 CCCCC=Cc1cc(cc2c1cc[nH]2)F 271570a_100016275911_100010188273 [0,0,1,0,0,0|2,0,0]=3 251 B17R2.46861 CCCCC=Cc1cc(cc2c1cc[nH]2)N 271570a_100016275911_100010006569 [0,0,1,0,0,0|2,0,0]=3 252 B17R2.46861 CCCCC=Cc1cc(cc2c1cn[nH]2)Br 271570a_100016275911_100009814777 [0,0,1,0,0,0|3,0,0]=4 253 B17R2.46861 CCCCC=Cc1cc(cc2c1cn[nH]2)C 271570a_100016275911_100009816876 [0,0,1,0,0,0|2,0,0]=3 254 B17R2.46861 CCCCC=Cc1cc(cc2c1cn[nH]2)Cl 271570a_100016275911_100000050163 [0,0,1,0,0,0|3,0,0]=4 255 B17R2.46861 CCCCC=Cc1cc(cc2c1cn[nH]2)F 271570a_100016275911_100010185992 [0,0,1,0,0,0|3,0,0]=4 256 B17R2.46861 CCCCC=Cc1cc(cc2c1cn[nH]2)N 271570a_100016275911_100010185947 [0,0,1,0,0,0|3,0,0]=4 257 B17R2.46861 CCCCC=Cc1cc(cc2c1nc[nH]2)F 271570a_100016275911_100010192642 [0,0,1,0,0,0|3,0,0]=4 258 B17R2.46861 CCCCC=Cc1cc(cc2c1occ2)C 271570a_100016275911_100012361857 [0,0,1,0,0,0|3,0,0]=4 259 B17R2.46861 CCCCC=Cc1cc(nc2c1cc[nH]2)C 271570a_100016275911_100000095047 [0,0,1,0,0,0|2,0,0]=3 260 B17R2.46861 CCCCC=Cc1cc(nc2c1cc[nH]2)N 271570a_100016275911_100009864914 [0,0,1,0,0,0|3,0,0]=4 261 B17R2.46861 CCCCC=Cc1nc(nc2c1cc[nH]2)C 271570a_100016275911_100000092993 [0,0,1,0,0,0|3,0,0]=4 262 B17R2.46861 CCCCCSc1cc(cc2c1cc[nH]2)C 62a_100000210326_100010186026 [0,0,1,0,0,0|2,0,1]=4 263 B17R2.46861 COCCCSc1cc(cc2c1cc[nH]2)C 62a_100000709357_100010186026 [0,0,1,0,0,0|2,0,1]=4 264 B17R2.46861 Cc1cc(c2cc[nH]c2c1)SCCCCF 62a_100000729493_100010186026 [0,0,1,0,0,0|3,0,0]=4 265 B17R2.46861 Cc1cc(c2cc[nH]c2c1)SCCCCO 62a_100000210776_100010186026 [0,0,1,0,0,0|3,0,0]=4 266 B17R2.74682 CCCCC(=O)c1cc(cc2c1cc[nH]2)Br 1458a_100010195928_100000210211 [0,0,1,0,0,0|3,0,0]=4 267 B17R2.74682 CCNNC(=O)c1cc(cc2c1cc[nH]2)Br 22a_100000756455_100010195928 [0,0,1,0,0,0|3,0,0]=4 268 B17R3.104 Brc1cc(c2cc[nH]c2c1)C3=CCCC3 271570a_100000089523_100009814761 [0,0,0,0,1,0|1,0,0]=2 269 B17R3.104 Brc1cc(c2cc[nH]c2c1)C3=CCOC3 271570a_100009872500_100009814761 [0,0,0,0,1,0|2,0,0]=3 270 B17R3.104 Brc1cc(c2cc[nH]c2c1)C3=COCC3 271570a_100000118173_100009814761 [0,0,0,0,1,0|2,0,0]=3 271 B17R3.104 Brc1cc(c2cc[nH]c2c1)c3cc[nH]c3 271570a_100000102155_100009814761 [0,0,0,0,1,0|1,0,2]=4 272 B17R3.104 Brc1cc(c2cc[nH]c2c1)c3cc[nH]n3 271570a_100000062414_100009814761 [0,0,0,0,1,0|2,0,1]=4 273 B17R3.104 Brc1cc(c2cc[nH]c2c1)c3cn[nH]c3 271570a_100000041997_100009814761 [0,0,0,0,1,0|2,0,1]=4 274 B17R3.104 Brc1cc(c2cn[nH]c2c1)C3=CCCC3 271570a_100000089523_100009814777 [0,0,0,0,1,0|2,0,0]=3 275 B17R3.104 Brc1cc(c2cn[nH]c2c1)C3=CCOC3 271570a_100009872500_100009814777 [0,0,0,0,1,0|3,0,0]=4 276 B17R3.104 Brc1cc(c2cn[nH]c2c1)C3=COCC3 271570a_100000118173_100009814777 [0,0,0,0,1,0|3,0,0]=4 277 B17R3.104 Cc1cc(c2[nH]cnc2c1)C3=CCCC3 271570a_100000089523_100010107307 [0,0,0,0,1,0|1,0,1]=3 278 B17R3.104 Cc1cc(c2[nH]cnc2c1)C3=CCOC3 271570a_100009872500_100010107307 [0,0,0,0,1,0|2,0,1]=4 279 B17R3.104 Cc1cc(c2[nH]cnc2c1)C3=COCC3 271570a_100000118173_100010107307 [0,0,0,0,1,0|2,0,1]=4 280 B17R3.104 Cc1cc(c2[nH]ncc2c1)C3=CCCC3 271570a_100000089523_100009816732 [0,0,0,0,1,0|3,0,0]=4 281 B17R3.104 Cc1cc(c2cc[nH]c2c1)C3=CCCC3 271570a_100000089523_100010186026 [0,0,0,0,1,0|0,0,0]=1 282 B17R3.104 Cc1cc(c2cc[nH]c2c1)C3=CCOC3 271570a_100009872500_100010186026 [0,0,0,0,1,0|1,0,0]=2 283 B17R3.104 Cc1cc(c2cc[nH]c2c1)C3=COCC3 271570a_100000118173_100010186026 [0,0,0,0,1,0|1,0,0]=2 284 B17R3.104 Cc1cc(c2cc[nH]c2c1)c3cc[nH]c3 271570a_100000102155_100010186026 [0,0,0,0,1,0|0,0,2]=3 285 B17R3.104 Cc1cc(c2cc[nH]c2c1)c3cc[nH]n3 271570a_100000062414_100010186026 [0,0,0,0,1,0|1,0,1]=3 286 B17R3.104 Cc1cc(c2cc[nH]c2c1)c3ccco3 271570a_100000750936_100010186026 [0,0,0,0,1,0|1,0,2]=4 287 B17R3.104 Cc1cc(c2cc[nH]c2c1)c3cccs3 271570a_100000742291_100010186026 [0,0,0,0,1,0|1,0,2]=4 288 B17R3.104 Cc1cc(c2cc[nH]c2c1)c3ccoc3 271570a_100011218838_100010186026 [0,0,0,0,1,0|1,0,2]=4 289 B17R3.104 Cc1cc(c2cc[nH]c2c1)c3ccsc3 271570a_100011934443_100010186026 [0,0,0,0,1,0|1,0,2]=4 290 B17R3.104 Cc1cc(c2cc[nH]c2c1)c3cn[nH]c3 271570a_100000041997_100010186026 [0,0,0,0,1,0|1,0,1]=3 291 B17R3.104 Cc1cc(c2cc[nH]c2c1)c3cncs3 271570a_100010231675_100010186026 [0,0,0,0,1,0|2,0,1]=4 292 B17R3.104 Cc1cc(c2cc[nH]c2c1)c3ncc[nH]3 271570a_100016988920_100010186026 [0,0,0,0,1,0|1,0,2]=4 293 B17R3.104 Cc1cc(c2cc[nH]c2n1)C3=CCCC3 271570a_100000089523_100000095047 [0,0,0,0,1,0|1,0,0]=2 294 B17R3.104 Cc1cc(c2cc[nH]c2n1)C3=CCOC3 271570a_100009872500_100000095047 [0,0,0,0,1,0|2,0,0]=3 295 B17R3.104 Cc1cc(c2cc[nH]c2n1)C3=COCC3 271570a_100000118173_100000095047 [0,0,0,0,1,0|2,0,0]=3 296 B17R3.104 Cc1cc(c2cc[nH]c2n1)c3cc[nH]c3 271570a_100000102155_100000095047 [0,0,0,0,1,0|1,0,2]=4 297 B17R3.104 Cc1cc(c2cc[nH]c2n1)c3cc[nH]n3 271570a_100000062414_100000095047 [0,0,0,0,1,0|2,0,1]=4 298 B17R3.104 Cc1cc(c2cc[nH]c2n1)c3cn[nH]c3 271570a_100000041997_100000095047 [0,0,0,0,1,0|2,0,1]=4 299 B17R3.104 Cc1cc(c2cn[nH]c2c1)C3=CCCC3 271570a_100000089523_100009816876 [0,0,0,0,1,0|1,0,0]=2 300 B17R3.104 Cc1cc(c2cn[nH]c2c1)C3=CCOC3 271570a_100009872500_100009816876 [0,0,0,0,1,0|2,0,0]=3 301 B17R3.104 Cc1cc(c2cn[nH]c2c1)C3=COCC3 271570a_100000118173_100009816876 [0,0,0,0,1,0|2,0,0]=3 302 B17R3.104 Cc1cc(c2cn[nH]c2c1)c3cc[nH]c3 271570a_100000102155_100009816876 [0,0,0,0,1,0|1,0,2]=4 303 B17R3.104 Cc1cc(c2cn[nH]c2c1)c3cc[nH]n3 271570a_100000062414_100009816876 [0,0,0,0,1,0|2,0,1]=4 304 B17R3.104 Cc1cc(c2cn[nH]c2c1)c3cn[nH]c3 271570a_100000041997_100009816876 [0,0,0,0,1,0|2,0,1]=4 305 B17R3.104 Cc1cc(c2nccn2c1)C3=CCCC3 271570a_100000089523_100025775375 [0,0,0,0,1,0|3,0,0]=4 306 B17R3.104 Cc1cc(c2ncnn2c1)C3=CCCC3 271570a_100000089523_100009817174 [0,0,0,0,1,0|2,0,1]=4 307 B17R3.104 Cc1cc(c2occc2c1)C3=CCCC3 271570a_100000089523_100012361857 [0,0,0,0,1,0|2,0,0]=3 308 B17R3.104 Cc1cc(c2occc2c1)C3=CCOC3 271570a_100009872500_100012361857 [0,0,0,0,1,0|3,0,0]=4 309 B17R3.104 Cc1cc(c2occc2c1)C3=COCC3 271570a_100000118173_100012361857 [0,0,0,0,1,0|3,0,0]=4 310 B17R3.104 Cc1nc(c2cc[nH]c2n1)C3=CCCC3 271570a_100000089523_100000092993 [0,0,0,0,1,0|2,0,0]=3 311 B17R3.104 Cc1nc(c2cc[nH]c2n1)C3=CCOC3 271570a_100009872500_100000092993 [0,0,0,0,1,0|3,0,0]=4 312 B17R3.104 Cc1nc(c2cc[nH]c2n1)C3=COCC3 271570a_100000118173_100000092993 [0,0,0,0,1,0|3,0,0]=4 313 B17R3.104 Cc1nc(c2ccsc2n1)C3=CCCC3 271570a_100000089523_100000183124 [0,0,0,0,1,0|3,0,0]=4 314 B17R3.104 Cc1nc(c2cn[nH]c2n1)C3=CCCC3 271570a_100000089523_100000745003 [0,0,0,0,1,0|3,0,0]=4 315 B17R3.104 Clc1cc(c2cn[nH]c2c1)C3=CCCC3 271570a_100000089523_100000050163 [0,0,0,0,1,0|2,0,0]=3 316 B17R3.104 Clc1cc(c2cn[nH]c2c1)C3=CCOC3 271570a_100009872500_100000050163 [0,0,0,0,1,0|3,0,0]=4 317 B17R3.104 Clc1cc(c2cn[nH]c2c1)C3=COCC3 271570a_100000118173_100000050163 [0,0,0,0,1,0|3,0,0]=4 318 B17R3.104 Fc1cc(c2[nH]ccc2c1)C3=CCCC3 271570a_100000089523_100010138379 [0,0,0,0,1,0|3,0,0]=4 319 B17R3.104 Fc1cc(c2cc[nH]c2c1)C3=CCCC3 271570a_100000089523_100010188273 [0,0,0,0,1,0|1,0,0]=2 320 B17R3.104 Fc1cc(c2cc[nH]c2c1)C3=CCOC3 271570a_100009872500_100010188273 [0,0,0,0,1,0|2,0,0]=3 321 B17R3.104 Fc1cc(c2cc[nH]c2c1)C3=COCC3 271570a_100000118173_100010188273 [0,0,0,0,1,0|2,0,0]=3 322 B17R3.104 Fc1cc(c2cc[nH]c2c1)c3cc[nH]c3 271570a_100000102155_100010188273 [0,0,0,0,1,0|1,0,2]=4 323 B17R3.104 Fc1cc(c2cc[nH]c2c1)c3cc[nH]n3 271570a_100000062414_100010188273 [0,0,0,0,1,0|2,0,1]=4 324 B17R3.104 Fc1cc(c2cc[nH]c2c1)c3cn[nH]c3 271570a_100000041997_100010188273 [0,0,0,0,1,0|2,0,1]=4 325 B17R3.104 Fc1cc(c2cn[nH]c2c1)C3=CCCC3 271570a_100000089523_100010185992 [0,0,0,0,1,0|2,0,0]=3 326 B17R3.104 Fc1cc(c2cn[nH]c2c1)C3=CCOC3 271570a_100009872500_100010185992 [0,0,0,0,1,0|3,0,0]=4 327 B17R3.104 Fc1cc(c2cn[nH]c2c1)C3=COCC3 271570a_100000118173_100010185992 [0,0,0,0,1,0|3,0,0]=4 328 B17R3.104 Fc1cc(c2cn[nH]c2n1)C3=CCCC3 271570a_100000089523_103551249018 [0,0,0,0,1,0|3,0,0]=4 329 B17R3.104 Fc1cc(c2nc[nH]c2c1)C3=CCCC3 271570a_100000089523_100010192642 [0,0,0,0,1,0|2,0,0]=3 330 B17R3.104 Fc1cc(c2nc[nH]c2c1)C3=CCOC3 271570a_100009872500_100010192642 [0,0,0,0,1,0|3,0,0]=4 331 B17R3.104 Fc1cc(c2nc[nH]c2c1)C3=COCC3 271570a_100000118173_100010192642 [0,0,0,0,1,0|3,0,0]=4 332 B17R3.104 Fc1cc(c2ncoc2c1)C3=CCCC3 271570a_100000089523_100016120941 [0,0,0,0,1,0|3,0,0]=4 333 B17R3.104 Fc1cc(c2occc2c1)C3=CCCC3 271570a_100000089523_100011935139 [0,0,0,0,1,0|3,0,0]=4 334 B17R3.104 Nc1cc(c2cc[nH]c2c1)C3=CCCC3 271570a_100000089523_100010006569 [0,0,0,0,1,0|1,0,0]=2 335 B17R3.104 Nc1cc(c2cc[nH]c2c1)C3=CCOC3 271570a_100009872500_100010006569 [0,0,0,0,1,0|2,0,0]=3 336 B17R3.104 Nc1cc(c2cc[nH]c2c1)C3=COCC3 271570a_100000118173_100010006569 [0,0,0,0,1,0|2,0,0]=3 337 B17R3.104 Nc1cc(c2cc[nH]c2c1)c3cc[nH]c3 271570a_100000102155_100010006569 [0,0,0,0,1,0|1,0,2]=4 338 B17R3.104 Nc1cc(c2cc[nH]c2c1)c3cc[nH]n3 271570a_100000062414_100010006569 [0,0,0,0,1,0|2,0,1]=4 339 B17R3.104 Nc1cc(c2cc[nH]c2c1)c3cn[nH]c3 271570a_100000041997_100010006569 [0,0,0,0,1,0|2,0,1]=4 340 B17R3.104 Nc1cc(c2cc[nH]c2n1)C3=CCCC3 271570a_100000089523_100009864914 [0,0,0,0,1,0|2,0,0]=3 341 B17R3.104 Nc1cc(c2cc[nH]c2n1)C3=CCOC3 271570a_100009872500_100009864914 [0,0,0,0,1,0|3,0,0]=4 342 B17R3.104 Nc1cc(c2cc[nH]c2n1)C3=COCC3 271570a_100000118173_100009864914 [0,0,0,0,1,0|3,0,0]=4 343 B17R3.104 Nc1cc(c2cn[nH]c2c1)C3=CCCC3 271570a_100000089523_100010185947 [0,0,0,0,1,0|2,0,0]=3 344 B17R3.104 Nc1cc(c2cn[nH]c2c1)C3=CCOC3 271570a_100009872500_100010185947 [0,0,0,0,1,0|3,0,0]=4 345 B17R3.104 Nc1cc(c2cn[nH]c2c1)C3=COCC3 271570a_100000118173_100010185947 [0,0,0,0,1,0|3,0,0]=4 346 B17R3.104 Nc1cc(c2scnc2c1)C3=CCCC3 271570a_100000089523_200010333430 [0,0,0,0,1,0|2,0,1]=4 347 B17R3.104 Oc1cc(c2occc2c1)C3=CCCC3 271570a_100000089523_200010248604 [0,0,0,0,1,0|3,0,0]=4 348 B19R3.284 Cc1cc(c2cc[nH]c2c1)SC3C=CCCC3 62a_100000751183_100010186026 [0,0,0,0,0,1|1,0,2]=4 349 B19R3.284 Cc1cc(c2cc[nH]c2c1)SC3CCCCC3 62a_100000210327_100010186026 [0,0,0,0,0,1|1,0,2]=4 350 B19R3.294 Brc1cc(c2ncccc2c1)C3=CCCCC3 271570a_100000062251_100010090713 [0,0,0,0,0,1|3,0,0]=4 351 B19R3.294 Cc1cc(c2ccccc2n1)C3=CCCCC3 271570a_100000062251_100000764982 [0,0,0,0,0,1|3,0,0]=4 352 B19R3.294 Cc1cc(c2cccnc2n1)C3=CCCCC3 271570a_100000062251_100009885123 [0,0,0,0,0,1|2,0,1]=4 353 B19R3.294 Cc1cc(c2ncccc2c1)C3=CCCCC3 271570a_100000062251_100010113427 [0,0,0,0,0,1|2,0,0]=3 354 B19R3.294 Cc1cc(c2ncccc2c1)C3=CCCCO3 271570a_100010177797_100010113427 [0,0,0,0,0,1|3,0,0]=4 355 B19R3.294 Cc1cc(c2ncccc2c1)C3=CCNCC3 271570a_100000731432_100010113427 [0,0,0,0,0,1|3,0,0]=4 356 B19R3.294 Cc1cc(c2ncccc2c1)C3=CCOCC3 271570a_100000070234_100010113427 [0,0,0,0,0,1|3,0,0]=4 357 B19R3.294 Cc1cc(c2ncccc2c1)C3=CCSCC3 271570a_100010232141_100010113427 [0,0,0,0,0,1|3,0,0]=4 358 B19R3.294 Cc1cc(c2ncccc2c1)C3=COCCC3 271570a_100010175576_100010113427 [0,0,0,0,0,1|3,0,0]=4 359 B19R3.294 Cc1cc2ccccc2c(n1)C3=CCCCC3 271570a_100000062251_100000698243 [0,0,0,0,0,1|3,0,0]=4 360 B19R3.294 Fc1cc(c2ncccc2c1)C3=CCCCC3 271570a_100000062251_100010214460 [0,0,0,0,0,1|3,0,0]=4 361 B19R3.294 Fc1cc(c2nccnc2c1)C3=CCCCC3 271570a_100000062251_100011083936 [0,0,0,0,0,1|2,0,1]=4 362 B19R3.294 Nc1cc(c2ccccc2c1)C3=CCCCC3 271570a_100000062251_100010089974 [0,0,0,0,0,1|3,0,0]=4 363 B19R3.294 Oc1cc(c2ccccc2c1)C3=CCCCC3 271570a_100000062251_100010001680 [0,0,0,0,0,1|3,0,0]=4 364 B19R3.294 Oc1cc(c2cnccc2c1)C3=CCCCC3 271570a_100000062251_100011009069 [0,0,0,0,0,1|3,0,0]=4 365 B19R3.156707 Brc1cc(c2cc[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100009814761 [0,0,0,0,0,1|2,0,0]=3 366 B19R3.156707 Brc1cc(c2cn[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100009814777 [0,0,0,0,0,1|3,0,0]=4 367 B19R3.156707 Cc1cc(c2[nH]cnc2c1)C3=CCCCCC3 271570a_200009888920_100010107307 [0,0,0,0,0,1|2,0,1]=4 368 B19R3.156707 Cc1cc(c2cc[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100010186026 [0,0,0,0,0,1|1,0,0]=2 369 B19R3.156707 Cc1cc(c2cc[nH]c2n1)C3=CCCCCC3 271570a_200009888920_100000095047 [0,0,0,0,0,1|2,0,0]=3 370 B19R3.156707 Cc1cc(c2cn[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100009816876 [0,0,0,0,0,1|2,0,0]=3 371 B19R3.156707 Cc1cc(c2occc2c1)C3=CCCCCC3 271570a_200009888920_100012361857 [0,0,0,0,0,1|3,0,0]=4 372 B19R3.156707 Cc1nc(c2cc[nH]c2n1)C3=CCCCCC3 271570a_200009888920_100000092993 [0,0,0,0,0,1|3,0,0]=4 373 B19R3.156707 Clc1cc(c2cn[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100000050163 [0,0,0,0,0,1|3,0,0]=4 374 B19R3.156707 Fc1cc(c2cc[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100010188273 [0,0,0,0,0,1|2,0,0]=3 375 B19R3.156707 Fc1cc(c2cn[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100010185992 [0,0,0,0,0,1|3,0,0]=4 376 B19R3.156707 Fc1cc(c2nc[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100010192642 [0,0,0,0,0,1|3,0,0]=4 377 B19R3.156707 Nc1cc(c2cc[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100010006569 [0,0,0,0,0,1|2,0,0]=3 378 B19R3.156707 Nc1cc(c2cc[nH]c2n1)C3=CCCCCC3 271570a_200009888920_100009864914 [0,0,0,0,0,1|3,0,0]=4 379 B19R3.156707 Nc1cc(c2cn[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100010185947 [0,0,0,0,0,1|3,0,0]=4 380 B16R2.19 Cc1cc(cc(c1)C2=CCCCC2)C=O 271570a_100000062251_100000686105 [1,0,1,0,0,0|2,0,0]=4 381 B16R2.6164 Cc1cc(c(c(c1)C2=CCCCC2)C)N 271570a_100000062251_102495365385 [1,0,1,0,0,0|1,0,1]=4 382 B16R2.6164 Cc1cc(c(c(c1)C2=CCCCC2)F)N 271570a_100000062251_100010589139 [1,0,1,0,0,0|2,0,0]=4 383 B16R2.6164 Cc1cc(c(c(c1)C2=CCCCC2)N)N 271570a_100000062251_100012348275 [1,0,1,0,0,0|2,0,0]=4 384 B16R2.94 C=CCc1cccc(c1)C2=CCCCC2 271570a_100000062251_100009816576 [1,0,1,0,0,0|2,0,0]=4 385 B16R2.2443 Cc1ccc(c(c1)C2=CCCCC2)C=O 271570a_100000062251_100000692596 [1,0,1,0,0,0|2,0,0]=4 386 B16R2.2443 Cc1ccc(c(c1)C2=CCCCC2)NN 271570a_100000062251_100016996181 [1,0,1,0,0,0|2,0,0]=4 387 B16R2.2602 Nc1cccc(c1C=O)C2=CCCCC2 271570a_100000062251_100010232536 [1,0,1,0,0,0|2,0,0]=4 388 B16R2.29777 CCCC(=O)c1cc(cc2c1cc[nH]2)Br 1458a_100010195928_100000210303 [1,0,1,0,0,0|2,0,0]=4 389 B16R2.29777 CCNC(=O)c1cc(cc2c1cc[nH]2)Br 11a_100015525214_100010195928 [1,0,1,0,0,0|2,0,0]=4 390 B16R2.29777 CCNC(=O)c1cc(cc2c1cc[nH]2)Br 240690a_100015525214_100010195928 [1,0,1,0,0,0|2,0,0]=4 391 B16R2.29777 CCNC(=O)c1cc(cc2c1cc[nH]2)Br 527a_100015525214_100010195928 [1,0,1,0,0,0|2,0,0]=4 392 B16R2.7689 C=CCCSc1cc(cc2c1cc[nH]2)C 62a_100000754431_100010186026 [1,0,1,0,0,0|1,0,1]=4 393 B16R2.7689 CCCC=Cc1cc(cc2c1[nH]cn2)C 271570a_100016258520_100010107307 [1,0,1,0,0,0|1,0,1]=4 394 B16R2.7689 CCCC=Cc1cc(cc2c1cc[nH]2)Br 271570a_100016258520_100009814761 [1,0,1,0,0,0|1,0,0]=3 395 B16R2.7689 CCCC=Cc1cc(cc2c1cc[nH]2)C 271570a_100016258520_100010186026 [1,0,1,0,0,0|0,0,0]=2 396 B16R2.7689 CCCC=Cc1cc(cc2c1cc[nH]2)F 271570a_100016258520_100010188273 [1,0,1,0,0,0|1,0,0]=3 397 B16R2.7689 CCCC=Cc1cc(cc2c1cc[nH]2)N 271570a_100016258520_100010006569 [1,0,1,0,0,0|1,0,0]=3 398 B16R2.7689 CCCC=Cc1cc(cc2c1cn[nH]2)Br 271570a_100016258520_100009814777 [1,0,1,0,0,0|2,0,0]=4 399 B16R2.7689 CCCC=Cc1cc(cc2c1cn[nH]2)C 271570a_100016258520_100009816876 [1,0,1,0,0,0|1,0,0]=3 400 B16R2.7689 CCCC=Cc1cc(cc2c1cn[nH]2)Cl 271570a_100016258520_100000050163 [1,0,1,0,0,0|2,0,0]=4 401 B16R2.7689 CCCC=Cc1cc(cc2c1cn[nH]2)F 271570a_100016258520_100010185992 [1,0,1,0,0,0|2,0,0]=4 402 B16R2.7689 CCCC=Cc1cc(cc2c1cn[nH]2)N 271570a_100016258520_100010185947 [1,0,1,0,0,0|2,0,0]=4 403 B16R2.7689 CCCC=Cc1cc(cc2c1nc[nH]2)F 271570a_100016258520_100010192642 [1,0,1,0,0,0|2,0,0]=4 404 B16R2.7689 CCCC=Cc1cc(cc2c1occ2)C 271570a_100016258520_100012361857 [1,0,1,0,0,0|2,0,0]=4 405 B16R2.7689 CCCC=Cc1cc(nc2c1cc[nH]2)C 271570a_100016258520_100000095047 [1,0,1,0,0,0|1,0,0]=3 406 B16R2.7689 CCCC=Cc1cc(nc2c1cc[nH]2)N 271570a_100016258520_100009864914 [1,0,1,0,0,0|2,0,0]=4 407 B16R2.7689 CCCC=Cc1nc(nc2c1cc[nH]2)C 271570a_100016258520_100000092993 [1,0,1,0,0,0|2,0,0]=4 408 B16R2.7689 CCCCSc1cc(cc2c1cc[nH]2)C 62a_100000210211_100010186026 [1,0,1,0,0,0|1,0,1]=4 409 B16R2.7689 CCOC=Cc1cc(cc2c1cc[nH]2)Br 271570a_100016256518_100009814761 [1,0,1,0,0,0|2,0,0]=4 410 B16R2.7689 CCOC=Cc1cc(cc2c1cc[nH]2)C 271570a_100016256518_100010186026 [1,0,1,0,0,0|1,0,0]=3 411 B16R2.7689 CCOC=Cc1cc(cc2c1cc[nH]2)F 271570a_100016256518_100010188273 [1,0,1,0,0,0|2,0,0]=4 412 B16R2.7689 CCOC=Cc1cc(cc2c1cc[nH]2)N 271570a_100016256518_100010006569 [1,0,1,0,0,0|2,0,0]=4 413 B16R2.7689 CCOC=Cc1cc(cc2c1cn[nH]2)C 271570a_100016256518_100009816876 [1,0,1,0,0,0|2,0,0]=4 414 B16R2.7689 CCOC=Cc1cc(nc2c1cc[nH]2)C 271570a_100016256518_100000095047 [1,0,1,0,0,0|2,0,0]=4 415 B16R2.7689 CCOCSc1cc(cc2c1cc[nH]2)C 62a_100000739092_100010186026 [1,0,1,0,0,0|2,0,0]=4 416 B16R2.7689 COCC=Cc1cc(cc2c1cc[nH]2)Br 271570a_100016286323_100009814761 [1,0,1,0,0,0|2,0,0]=4 417 B16R2.7689 COCC=Cc1cc(cc2c1cc[nH]2)C 271570a_100016286323_100010186026 [1,0,1,0,0,0|1,0,0]=3 418 B16R2.7689 COCC=Cc1cc(cc2c1cc[nH]2)F 271570a_100016286323_100010188273 [1,0,1,0,0,0|2,0,0]=4 419 B16R2.7689 COCC=Cc1cc(cc2c1cc[nH]2)N 271570a_100016286323_100010006569 [1,0,1,0,0,0|2,0,0]=4 420 B16R2.7689 COCC=Cc1cc(cc2c1cn[nH]2)C 271570a_100016286323_100009816876 [1,0,1,0,0,0|2,0,0]=4 421 B16R2.7689 COCC=Cc1cc(nc2c1cc[nH]2)C 271570a_100016286323_100000095047 [1,0,1,0,0,0|2,0,0]=4 422 B16R2.7689 COCCSc1cc(cc2c1cc[nH]2)C 62a_100000233755_100010186026 [1,0,1,0,0,0|2,0,0]=4 423 B16R2.7689 CSCCSc1cc(cc2c1cc[nH]2)C 62a_100000212216_100010186026 [1,0,1,0,0,0|2,0,0]=4 424 B16R2.7689 Cc1cc(c2cc[nH]c2c1)SCCCF 62a_100011934791_100010186026 [1,0,1,0,0,0|2,0,0]=4 425 B16R2.7689 Cc1cc(c2cc[nH]c2c1)SCCCO 62a_100011215043_100010186026 [1,0,1,0,0,0|2,0,0]=4 426 B16R2.11632 CCCCC=Cc1cccc2c1cc[nH]2 271570a_100016275911_100000685724 [1,0,1,0,0,0|1,0,0]=3 427 B16R2.11632 CCCCC=Cc1cccc2c1cco2 271570a_100016275911_100000756496 [1,0,1,0,0,0|2,0,0]=4 428 B16R2.11632 CCCCC=Cc1cccc2c1ccs2 271570a_100016275911_100009816950 [1,0,1,0,0,0|2,0,0]=4 429 B16R2.11632 CCCCC=Cc1cccc2c1cn[nH]2 271570a_100016275911_100000753301 [1,0,1,0,0,0|2,0,0]=4 430 B16R2.11632 CCCCC=Cc1cccc2c1nc[nH]2 271570a_100016275911_100011935113 [1,0,1,0,0,0|2,0,0]=4 431 B16R2.11632 CCCCC=Cc1ccnc2c1cc[nH]2 271570a_100016275911_100000049914 [1,0,1,0,0,0|2,0,0]=4 432 B16R2.11632 CCCCC=Cc1cncc2c1cc[nH]2 271570a_100016275911_100009840476 [1,0,1,0,0,0|2,0,0]=4 433 B16R2.11632 CCCCC=Cc1nccc2c1cc[nH]2 271570a_100016275911_100000086534 [1,0,1,0,0,0|2,0,0]=4 434 B16R2.11632 CCCNN=Cc1cccc2c1cc[nH]2 4a_100000740057_100000750904 [1,0,1,0,0,0|1,0,1]=4 435 B16R2.11632 OCCNN=Cc1cccc2c1cc[nH]2 4a_100000210001_100000750904 [1,0,1,0,0,0|2,0,0]=4 436 B16R2.4630 CCCCC(=O)c1cccc2c1cc[nH]2 1458a_100000740066_100000210211 [1,0,1,0,0,0|2,0,0]=4 437 B16R2.4630 CCNNC(=O)c1cccc2c1cc[nH]2 22a_100000756455_100000740066 [1,0,1,0,0,0|2,0,0]=4 438 B18R2.9472 Cc1ccc(c(c1)C2=CCCCC2)C(=O)NN 271570a_100000062251_200012340525 [0,1,1,0,0,0|2,0,0]=4 439 B18R2.6113 CC(=O)OCC=Cc1cc(cc2c1cc[nH]2)C 271570a_200000047263_100010186026 [0,1,1,0,0,0|2,0,0]=4 440 B18R2.99369 C=CCCCCSc1cc(cc2c1cc[nH]2)C 62a_100011215482_100010186026 [0,1,1,0,0,0|2,0,0]=4 441 B18R2.99369 CCCCCC=Cc1cc(cc2c1cc[nH]2)Br 271570a_100000062253_100009814761 [0,1,1,0,0,0|2,0,0]=4 442 B18R2.99369 CCCCCC=Cc1cc(cc2c1cc[nH]2)C 271570a_100000062253_100010186026 [0,1,1,0,0,0|1,0,0]=3 443 B18R2.99369 CCCCCC=Cc1cc(cc2c1cc[nH]2)F 271570a_100000062253_100010188273 [0,1,1,0,0,0|2,0,0]=4 444 B18R2.99369 CCCCCC=Cc1cc(cc2c1cc[nH]2)N 271570a_100000062253_100010006569 [0,1,1,0,0,0|2,0,0]=4 445 B18R2.99369 CCCCCC=Cc1cc(cc2c1cn[nH]2)C 271570a_100000062253_100009816876 [0,1,1,0,0,0|2,0,0]=4 446 B18R2.99369 CCCCCC=Cc1cc(nc2c1cc[nH]2)C 271570a_100000062253_100000095047 [0,1,1,0,0,0|2,0,0]=4 447 B18R2.99369 Cc1cc(c2cc[nH]c2c1)SCCCCC=O 62a_100000139335_100010186026 [0,1,1,0,0,0|2,0,0]=4 448 B18R2.290042 CCCCC(=Cc1cc(cc2c1cc[nH]2)Br)Br 271570a_206741709834_100009814761 [0,1,1,0,0,0|2,0,0]=4 449 B18R2.290042 CCCCC(=Cc1cc(cc2c1cc[nH]2)C)Br 271570a_206741709834_100010186026 [0,1,1,0,0,0|1,0,0]=3 450 B18R2.290042 CCCCC(=Cc1cc(cc2c1cc[nH]2)F)Br 271570a_206741709834_100010188273 [0,1,1,0,0,0|2,0,0]=4 451 B18R2.290042 CCCCC(=Cc1cc(cc2c1cc[nH]2)N)Br 271570a_206741709834_100010006569 [0,1,1,0,0,0|2,0,0]=4 452 B18R2.290042 CCCCC(=Cc1cc(cc2c1cn[nH]2)C)Br 271570a_206741709834_100009816876 [0,1,1,0,0,0|2,0,0]=4 453 B18R2.290042 CCCCC(=Cc1cc(nc2c1cc[nH]2)C)Br 271570a_206741709834_100000095047 [0,1,1,0,0,0|2,0,0]=4 454 B18R2.583616 CCCCC=Cc1cc(cc2c1cc[nH]2)C#N 271570a_100016275911_100000694428 [0,1,1,0,0,0|1,0,1]=4 455 B18R2.583616 CCCCC=Cc1cc(cc2c1cc[nH]2)OC 271570a_100016275911_100010006585 [0,1,1,0,0,0|1,0,0]=3 456 B18R2.583616 CCCCC=Cc1cc(cc2c1cn[nH]2)OC 271570a_100016275911_100010188275 [0,1,1,0,0,0|2,0,0]=4 457 B18R2.583616 CCCCC=Cc1cc(cc2c1nc[nH]2)OC 271570a_100016275911_100102526192 [0,1,1,0,0,0|2,0,0]=4 458 B18R3.1 Cn1ccc2c1cccc2C3=CCCCC3 271570a_100000062251_200011934935 [1,1,0,0,0,0|1,0,0]=3 459 B18R3.1 Cn1ccc2c1cccc2C3=CCCCO3 271570a_100010177797_200011934935 [1,1,0,0,0,0|2,0,0]=4 460 B18R3.1 Cn1ccc2c1cccc2C3=CCNCC3 271570a_100000731432_200011934935 [1,1,0,0,0,0|2,0,0]=4 461 B18R3.1 Cn1ccc2c1cccc2C3=CCOCC3 271570a_100000070234_200011934935 [1,1,0,0,0,0|2,0,0]=4 462 B18R3.1 Cn1ccc2c1cccc2C3=CCSCC3 271570a_100010232141_200011934935 [1,1,0,0,0,0|2,0,0]=4 463 B18R3.1 Cn1ccc2c1cccc2C3=COCCC3 271570a_100010175576_200011934935 [1,1,0,0,0,0|2,0,0]=4 464 B18R3.1 Cn1ccc2c1ccnc2C3=CCCCC3 271570a_100000062251_100000048735 [1,1,0,0,0,0|2,0,0]=4 465 B18R3.1 Cn1ccc2c1nccc2C3=CCCCC3 271570a_100000062251_100010168893 [1,1,0,0,0,0|2,0,0]=4 466 B18R3.1 Cn1cnc2c1cccc2C3=CCCCC3 271570a_100000062251_100000696766 [1,1,0,0,0,0|2,0,0]=4 467 B18R3.1 Cn1ncc2c1cccc2C3=CCCCC3 271570a_100000062251_100009817161 [1,1,0,0,0,0|2,0,0]=4 468 B18R3.213 Cc1cc2c(cccc2[nH]1)C3=CCCCC3 271570a_100000062251_100010143266 [1,1,0,0,0,0|1,0,0]=3 469 B18R3.213 Cc1cc2c(cccc2[nH]1)C3=CCCCO3 271570a_100010177797_100010143266 [1,1,0,0,0,0|2,0,0]=4 470 B18R3.213 Cc1cc2c(cccc2[nH]1)C3=CCNCC3 271570a_100000731432_100010143266 [1,1,0,0,0,0|2,0,0]=4 471 B18R3.213 Cc1cc2c(cccc2[nH]1)C3=CCOCC3 271570a_100000070234_100010143266 [1,1,0,0,0,0|2,0,0]=4 472 B18R3.213 Cc1cc2c(cccc2[nH]1)C3=CCSCC3 271570a_100010232141_100010143266 [1,1,0,0,0,0|2,0,0]=4 473 B18R3.213 Cc1cc2c(cccc2[nH]1)C3=COCCC3 271570a_100010175576_100010143266 [1,1,0,0,0,0|2,0,0]=4 474 B18R3.213 Cc1cc2c(ccnc2[nH]1)C3=CCCCC3 271570a_100000062251_100010202352 [1,1,0,0,0,0|2,0,0]=4 475 B18R3.213 Cc1nc2c(cccc2[nH]1)C3=CCCCC3 271570a_100000062251_100012360556 [1,1,0,0,0,0|2,0,0]=4 476 B18R3.213 Nc1nc2c(cccc2[nH]1)C3=CCCCC3 271570a_100000062251_100012356985 [1,1,0,0,0,0|2,0,0]=4 477 B18R3.213 O=C1Cc2c(cccc2C3=CCCCC3)N1 271570a_100000062251_100009816812 [1,1,0,0,0,0|1,0,1]=4 478 B18R3.213 O=c1[nH]c2cccc(c2o1)C3=CCCCC3 271570a_100000062251_100012360093 [1,1,0,0,0,0|2,0,0]=4 479 B18R3.213 Oc1nc2c(cccc2[nH]1)C3=CCCCC3 271570a_100000062251_100012347640 [1,1,0,0,0,0|2,0,0]=4 480 B18R3.3067 Cc1ccc2[nH]ccc2c1C3=CCCCC3 271570a_100000062251_100010248896 [1,1,0,0,0,0|1,0,0]=3 481 B18R3.3067 Cc1ccc2[nH]ccc2c1C3=CCCCO3 271570a_100010177797_100010248896 [1,1,0,0,0,0|2,0,0]=4 482 B18R3.3067 Cc1ccc2[nH]ccc2c1C3=CCNCC3 271570a_100000731432_100010248896 [1,1,0,0,0,0|2,0,0]=4 483 B18R3.3067 Cc1ccc2[nH]ccc2c1C3=CCOCC3 271570a_100000070234_100010248896 [1,1,0,0,0,0|2,0,0]=4 484 B18R3.3067 Cc1ccc2[nH]ccc2c1C3=CCSCC3 271570a_100010232141_100010248896 [1,1,0,0,0,0|2,0,0]=4 485 B18R3.3067 Cc1ccc2[nH]ccc2c1C3=COCCC3 271570a_100010175576_100010248896 [1,1,0,0,0,0|2,0,0]=4 486 B18R3.3067 Cc1ccc2[nH]ncc2c1C3=CCCCC3 271570a_100000062251_100009817104 [1,1,0,0,0,0|2,0,0]=4 487 B18R3.3067 Cc1cnc2[nH]ccc2c1C3=CCCCC3 271570a_100000062251_100000097406 [1,1,0,0,0,0|2,0,0]=4 488 B18R3.3067 Cc1ncc2[nH]ccc2c1C3=CCCCC3 271570a_100000062251_100011015088 [1,1,0,0,0,0|2,0,0]=4 489 B18R3.3067 Fc1ccc2[nH]ccc2c1C3=CCCCC3 271570a_100000062251_100102525403 [1,1,0,0,0,0|1,0,0]=3 490 B18R3.3067 Fc1ccc2[nH]ccc2c1C3=CCCCO3 271570a_100010177797_100102525403 [1,1,0,0,0,0|2,0,0]=4 491 B18R3.3067 Fc1ccc2[nH]ccc2c1C3=CCNCC3 271570a_100000731432_100102525403 [1,1,0,0,0,0|2,0,0]=4 492 B18R3.3067 Fc1ccc2[nH]ccc2c1C3=CCOCC3 271570a_100000070234_100102525403 [1,1,0,0,0,0|2,0,0]=4 493 B18R3.3067 Fc1ccc2[nH]ccc2c1C3=CCSCC3 271570a_100010232141_100102525403 [1,1,0,0,0,0|2,0,0]=4 494 B18R3.3067 Fc1ccc2[nH]ccc2c1C3=COCCC3 271570a_100010175576_100102525403 [1,1,0,0,0,0|2,0,0]=4 495 B18R3.3067 Fc1ccc2[nH]cnc2c1C3=CCCCC3 271570a_100000062251_200010369618 [1,1,0,0,0,0|2,0,0]=4 496 B18R3.3067 Fc1ccc2[nH]ncc2c1C3=CCCCC3 271570a_100000062251_200010080415 [1,1,0,0,0,0|2,0,0]=4 497 B18R3.3067 Fc1cnc2[nH]ccc2c1C3=CCCCC3 271570a_100000062251_100000118126 [1,1,0,0,0,0|2,0,0]=4 498 B18R3.3067 Nc1ccc2[nH]cnc2c1C3=CCCCC3 271570a_100000062251_100009816657 [1,1,0,0,0,0|2,0,0]=4 499 B18R3.6433 Cc1ccc(c2c1[nH]cc2)C3=CCCCC3 271570a_100000062251_100009820812 [1,1,0,0,0,0|1,0,0]=3 500 B18R3.6433 Cc1ccc(c2c1[nH]cc2)C3=CCCCO3 271570a_100010177797_100009820812 [1,1,0,0,0,0|2,0,0]=4 501 B18R3.6433 Cc1ccc(c2c1[nH]cc2)C3=CCNCC3 271570a_100000731432_100009820812 [1,1,0,0,0,0|2,0,0]=4 502 B18R3.6433 Cc1ccc(c2c1[nH]cc2)C3=CCOCC3 271570a_100000070234_100009820812 [1,1,0,0,0,0|2,0,0]=4 503 B18R3.6433 Cc1ccc(c2c1[nH]cc2)C3=CCSCC3 271570a_100010232141_100009820812 [1,1,0,0,0,0|2,0,0]=4 504 B18R3.6433 Cc1ccc(c2c1[nH]cc2)C3=COCCC3 271570a_100010175576_100009820812 [1,1,0,0,0,0|2,0,0]=4 505 B18R3.6433 Cc1ccc(c2c1[nH]nc2)C3=CCCCC3 271570a_100000062251_100009817120 [1,1,0,0,0,0|2,0,0]=4 506 B18R3.6433 Cc1cnc(c2c1[nH]cc2)C3=CCCCC3 271570a_100000062251_100010244391 [1,1,0,0,0,0|2,0,0]=4 507 B18R3.6433 Fc1ccc(c2c1[nH]cc2)C3=CCCCC3 271570a_100000062251_100010006601 [1,1,0,0,0,0|1,0,0]=3 508 B18R3.6433 Fc1ccc(c2c1[nH]cc2)C3=CCCCO3 271570a_100010177797_100010006601 [1,1,0,0,0,0|2,0,0]=4 509 B18R3.6433 Fc1ccc(c2c1[nH]cc2)C3=CCNCC3 271570a_100000731432_100010006601 [1,1,0,0,0,0|2,0,0]=4 510 B18R3.6433 Fc1ccc(c2c1[nH]cc2)C3=CCOCC3 271570a_100000070234_100010006601 [1,1,0,0,0,0|2,0,0]=4 511 B18R3.6433 Fc1ccc(c2c1[nH]cc2)C3=CCSCC3 271570a_100010232141_100010006601 [1,1,0,0,0,0|2,0,0]=4 512 B18R3.6433 Fc1ccc(c2c1[nH]cc2)C3=COCCC3 271570a_100010175576_100010006601 [1,1,0,0,0,0|2,0,0]=4 513 B18R3.6433 Fc1ccc(c2c1[nH]nc2)C3=CCCCC3 271570a_100000062251_100010074603 [1,1,0,0,0,0|2,0,0]=4 514 B18R3.6433 Fc1ccc(c2c1occ2)C3=CCCCC3 271570a_100000062251_100010248603 [1,1,0,0,0,0|2,0,0]=4 515 B18R3.6433 Oc1ccc(c2c1occ2)C3=CCCCC3 271570a_100000062251_200020711608 [1,1,0,0,0,0|2,0,0]=4 516 B18R3.8788 CC1CC=C(CC1)c2cccc3c2cc[nH]3 271570a_100010240233_100000685724 [1,1,0,0,0,0|1,0,0]=3 517 B18R3.8788 CC1CC=C(CC1)c2cccc3c2cco3 271570a_100010240233_100000756496 [1,1,0,0,0,0|2,0,0]=4 518 B18R3.8788 CC1CC=C(CC1)c2cccc3c2ccs3 271570a_100010240233_100009816950 [1,1,0,0,0,0|2,0,0]=4 519 B18R3.8788 CC1CC=C(CC1)c2cccc3c2cn[nH]3 271570a_100010240233_100000753301 [1,1,0,0,0,0|2,0,0]=4 520 B18R3.8788 CC1CC=C(CC1)c2cccc3c2nc[nH]3 271570a_100010240233_100011935113 [1,1,0,0,0,0|2,0,0]=4 521 B18R3.8788 CC1CC=C(CC1)c2ccnc3c2cc[nH]3 271570a_100010240233_100000049914 [1,1,0,0,0,0|2,0,0]=4 522 B18R3.8788 CC1CC=C(CC1)c2cncc3c2cc[nH]3 271570a_100010240233_100009840476 [1,1,0,0,0,0|2,0,0]=4 523 B18R3.8788 CC1CC=C(CC1)c2nccc3c2cc[nH]3 271570a_100010240233_100000086534 [1,1,0,0,0,0|2,0,0]=4 524 B18R3.8788 OC1CC=C(CC1)c2cccc3c2cc[nH]3 271570a_100010254553_100000685724 [1,1,0,0,0,0|1,0,0]=3 525 B18R3.8788 OC1CC=C(CC1)c2cccc3c2cco3 271570a_100010254553_100000756496 [1,1,0,0,0,0|2,0,0]=4 526 B18R3.8788 OC1CC=C(CC1)c2cccc3c2ccs3 271570a_100010254553_100009816950 [1,1,0,0,0,0|2,0,0]=4 527 B18R3.8788 OC1CC=C(CC1)c2cccc3c2cn[nH]3 271570a_100010254553_100000753301 [1,1,0,0,0,0|2,0,0]=4 528 B18R3.8788 OC1CC=C(CC1)c2cccc3c2nc[nH]3 271570a_100010254553_100011935113 [1,1,0,0,0,0|2,0,0]=4 529 B18R3.8788 OC1CC=C(CC1)c2ccnc3c2cc[nH]3 271570a_100010254553_100000049914 [1,1,0,0,0,0|2,0,0]=4 530 B18R3.8788 OC1CC=C(CC1)c2cncc3c2cc[nH]3 271570a_100010254553_100009840476 [1,1,0,0,0,0|2,0,0]=4 531 B18R3.8788 OC1CC=C(CC1)c2nccc3c2cc[nH]3 271570a_100010254553_100000086534 [1,1,0,0,0,0|2,0,0]=4 532 B18R3.31674 O=C1C=C(CCC1)c2cccc3c2cc[nH]3 271570a_100000723966_100000685724 [1,1,0,0,0,0|1,0,1]=4 533 B18R3.51480 Cc1c[nH]c2c1c(ccc2)C3=CCCCC3 271570a_100000062251_100010194227 [1,1,0,0,0,0|1,0,0]=3 534 B18R3.51480 Cc1c[nH]c2c1c(ccc2)C3=CCCCO3 271570a_100010177797_100010194227 [1,1,0,0,0,0|2,0,0]=4 535 B18R3.51480 Cc1c[nH]c2c1c(ccc2)C3=CCNCC3 271570a_100000731432_100010194227 [1,1,0,0,0,0|2,0,0]=4 536 B18R3.51480 Cc1c[nH]c2c1c(ccc2)C3=CCOCC3 271570a_100000070234_100010194227 [1,1,0,0,0,0|2,0,0]=4 537 B18R3.51480 Cc1c[nH]c2c1c(ccc2)C3=CCSCC3 271570a_100010232141_100010194227 [1,1,0,0,0,0|2,0,0]=4 538 B18R3.51480 Cc1c[nH]c2c1c(ccc2)C3=COCCC3 271570a_100010175576_100010194227 [1,1,0,0,0,0|2,0,0]=4 539 B18R3.51480 Cc1c[nH]c2c1c(ccn2)C3=CCCCC3 271570a_100000062251_100009849662 [1,1,0,0,0,0|2,0,0]=4 540 B18R3.51480 Cc1n[nH]c2c1c(ccc2)C3=CCCCC3 271570a_100000062251_100010205804 [1,1,0,0,0,0|2,0,0]=4 541 B18R3.51480 Nc1c[nH]c2c1c(ccn2)C3=CCCCC3 271570a_100000062251_100010212589 [1,1,0,0,0,0|2,0,0]=4 542 B18R3.51480 Nc1n[nH]c2c1c(ccc2)C3=CCCCC3 271570a_100000062251_100000049960 [1,1,0,0,0,0|2,0,0]=4 543 B18R3.51480 O=c1[nH][nH]c2c1c(ccc2)C3=CCCCC3 271570a_100000062251_100010170957 [1,1,0,0,0,0|2,0,0]=4 544 B18R3.305 COc1cc(c2cc[nH]c2c1)C3=CCCC3 271570a_100000089523_100010006585 [0,1,0,0,1,0|0,0,0]=2 545 B18R3.305 COc1cc(c2cc[nH]c2c1)C3=CCOC3 271570a_100009872500_100010006585 [0,1,0,0,1,0|1,0,0]=3 546 B18R3.305 COc1cc(c2cc[nH]c2c1)C3=COCC3 271570a_100000118173_100010006585 [0,1,0,0,1,0|1,0,0]=3 547 B18R3.305 COc1cc(c2cc[nH]c2c1)c3cc[nH]c3 271570a_100000102155_100010006585 [0,1,0,0,1,0|0,0,2]=4 548 B18R3.305 COc1cc(c2cc[nH]c2c1)c3cc[nH]n3 271570a_100000062414_100010006585 [0,1,0,0,1,0|1,0,1]=4 549 B18R3.305 COc1cc(c2cc[nH]c2c1)c3cn[nH]c3 271570a_100000041997_100010006585 [0,1,0,0,1,0|1,0,1]=4 550 B18R3.305 COc1cc(c2ccnn2c1)C3=CCCC3 271570a_100000089523_100010739841 [0,1,0,0,1,0|1,0,1]=4 551 B18R3.305 COc1cc(c2cn[nH]c2c1)C3=CCCC3 271570a_100000089523_100010188275 [0,1,0,0,1,0|1,0,0]=3 552 B18R3.305 COc1cc(c2cn[nH]c2c1)C3=CCOC3 271570a_100009872500_100010188275 [0,1,0,0,1,0|2,0,0]=4 553 B18R3.305 COc1cc(c2cn[nH]c2c1)C3=COCC3 271570a_100000118173_100010188275 [0,1,0,0,1,0|2,0,0]=4 554 B18R3.305 COc1cc(c2nc[nH]c2c1)C3=CCCC3 271570a_100000089523_100102526192 [0,1,0,0,1,0|1,0,0]=3 555 B18R3.305 COc1cc(c2nc[nH]c2c1)C3=CCOC3 271570a_100009872500_100102526192 [0,1,0,0,1,0|2,0,0]=4 556 B18R3.305 COc1cc(c2nc[nH]c2c1)C3=COCC3 271570a_100000118173_100102526192 [0,1,0,0,1,0|2,0,0]=4 557 B18R3.305 CSc1nc(c2cc[nH]c2n1)C3=CCCC3 271570a_100000089523_100000090414 [0,1,0,0,1,0|2,0,0]=4 558 B18R3.305 N#Cc1cc(c2cc[nH]c2c1)C3=CCCC3 271570a_100000089523_100000694428 [0,1,0,0,1,0|0,0,1]=3 559 B18R3.305 N#Cc1cc(c2cc[nH]c2c1)C3=CCOC3 271570a_100009872500_100000694428 [0,1,0,0,1,0|1,0,1]=4 560 B18R3.305 N#Cc1cc(c2cc[nH]c2c1)C3=COCC3 271570a_100000118173_100000694428 [0,1,0,0,1,0|1,0,1]=4 561 B18R3.305 N#Cc1cc(c2cc[nH]c2n1)C3=CCCC3 271570a_100000089523_100009847305 [0,1,0,0,1,0|1,0,1]=4 562 B18R3.305 N#Cc1cc(c2cn[nH]c2c1)C3=CCCC3 271570a_100000089523_100010195929 [0,1,0,0,1,0|1,0,1]=4 563 B18R3.305 N#Cc1cc(c2nc[nH]c2c1)C3=CCCC3 271570a_100000089523_100010718406 [0,1,0,0,1,0|1,0,1]=4 564 B18R3.6936 Cc1cc(c2nc(sc2c1)N)C3=CCCC3 271570a_100000089523_200011246637 [0,1,0,0,1,0|2,0,0]=4 565 B18R3.53513 Cc1cc2c(ncn2C)c(n1)C3=CCCC3 271570a_100000089523_100000091626 [0,1,0,0,1,0|2,0,0]=4 566 B18R3.92301 Cc1c(cc2[nH]ncc2c1C3=CCCC3)F 271570a_100000089523_106726393321 [0,1,0,0,1,0|2,0,0]=4 567 B18R3.394747 Cc1cc(c2cc[nH]c2c1)C3=CC(=O)CC3 271570a_100010737933_100010186026 [0,1,0,0,1,0|0,0,1]=3 568 B18R3.394747 Cc1cc(c2cc[nH]c2c1)c3cc([nH]n3)C 271570a_100009872134_100010186026 [0,1,0,0,1,0|1,0,1]=4 569 B18R3.394747 Cc1cc(c2cc[nH]c2c1)c3ccn(c3)C 271570a_100010172022_100010186026 [0,1,0,0,1,0|0,0,2]=4 570 B18R3.394747 Cc1cc(c2cc[nH]c2c1)c3ccn(n3)C 271570a_100012348833_100010186026 [0,1,0,0,1,0|1,0,1]=4 571 B18R3.394747 Cc1cc(c2cc[nH]c2c1)c3cnn(c3)C 271570a_100000685319_100010186026 [0,1,0,0,1,0|1,0,1]=4 572 B18R3.394747 Cc1cc(c2cc[nH]c2n1)C3=CC(=O)CC3 271570a_100010737933_100000095047 [0,1,0,0,1,0|1,0,1]=4 573 B18R3.394747 Cc1cc(c2cn[nH]c2c1)C3=CC(=O)CC3 271570a_100010737933_100009816876 [0,1,0,0,1,0|1,0,1]=4 574 B18R3.394747 Nc1cc(c2cc[nH]c2c1)C3=CC(=O)CC3 271570a_100010737933_100010006569 [0,1,0,0,1,0|1,0,1]=4 575 B18R3.394747 O=C1C=C(CC1)c2cc(cc3c2cc[nH]3)Br 271570a_100010737933_100009814761 [0,1,0,0,1,0|1,0,1]=4 576 B18R3.394747 O=C1C=C(CC1)c2cc(cc3c2cc[nH]3)F 271570a_100010737933_100010188273 [0,1,0,0,1,0|1,0,1]=4 577 B18R3.490170 Cc1cc(c2cc[nH]c2c1)c3c[nH]nc3C 271570a_100000069033_100010186026 [0,1,0,0,1,0|1,0,1]=4 578 B18R3.490170 Cc1cc(c2cc[nH]c2c1)c3cccn3C 271570a_100000068268_100010186026 [0,1,0,0,1,0|0,0,2]=4 579 B18R3.490170 Cc1cc(c2cc[nH]c2c1)c3ccnn3C 271570a_100000707534_100010186026 [0,1,0,0,1,0|1,0,1]=4 580 B18R3.490170 Cc1cc(c2cc[nH]c2c1)c3cncn3C 271570a_100009892668_100010186026 [0,1,0,0,1,0|1,0,1]=4 581 B18R3.490170 Cc1cc(c2cc[nH]c2c1)c3n[nH]cc3C 271570a_100102527747_100010186026 [0,1,0,0,1,0|1,0,1]=4 582 B20R3.4714706 Cc1cc(c2cc[nH]c2c1)SC3CCCCC3=O 62a_100000204591_100010186026 [0,1,0,0,0,1|1,0,1]=4 583 B20R3.4714706 Cc1cc(c2cc[nH]c2c1)SC3COCCC3=O 62a_100012180262_100010186026 [0,1,0,0,0,1|1,0,1]=4 584 B20R3.756 COc1cc(c2ccccc2c1)C3=CCCCC3 271570a_100000062251_100010152498 [0,1,0,0,0,1|2,0,0]=4 585 B20R3.756 COc1cc(c2cccnc2c1)C3=CCCCC3 271570a_100000062251_100010248855 [0,1,0,0,0,1|1,0,1]=4 586 B20R3.756 COc1cc(c2ncccc2c1)C3=CCCCC3 271570a_100000062251_200010235761 [0,1,0,0,0,1|2,0,0]=4 587 B20R3.402645 Cc1cc(c2ncccc2c1)C3=CCC(CC3)C 271570a_100010240233_100010113427 [0,1,0,0,0,1|2,0,0]=4 588 B20R3.402645 Cc1cc(c2ncccc2c1)C3=CCC(CC3)O 271570a_100010254553_100010113427 [0,1,0,0,0,1|2,0,0]=4 589 B20R3.460820 COc1cc(c2cc[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100010006585 [0,1,0,0,0,1|1,0,0]=3 590 B20R3.460820 COc1cc(c2cn[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100010188275 [0,1,0,0,0,1|2,0,0]=4 591 B20R3.460820 COc1cc(c2nc[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100102526192 [0,1,0,0,0,1|2,0,0]=4 592 B20R3.460820 N#Cc1cc(c2cc[nH]c2c1)C3=CCCCCC3 271570a_200009888920_100000694428 [0,1,0,0,0,1|1,0,1]=4 593 B20R3.742 CC1CC=C(CC1)c2cc(cc3c2cc[nH]3)C#N 271570a_100010240233_100000694428 [0,2,0,0,0,0|1,0,1]=4 594 B20R3.742 COc1cc(c2cc[nH]c2c1)C3=CCC(CC3)C 271570a_100010240233_100010006585 [0,2,0,0,0,0|1,0,0]=3 595 B20R3.742 COc1cc(c2cc[nH]c2c1)C3=CCC(CC3)O 271570a_100010254553_100010006585 [0,2,0,0,0,0|1,0,0]=3 596 B20R3.742 COc1cc(c2cn[nH]c2c1)C3=CCC(CC3)C 271570a_100010240233_100010188275 [0,2,0,0,0,0|2,0,0]=4 597 B20R3.742 COc1cc(c2cn[nH]c2c1)C3=CCC(CC3)O 271570a_100010254553_100010188275 [0,2,0,0,0,0|2,0,0]=4 598 B20R3.742 COc1cc(c2nc[nH]c2c1)C3=CCC(CC3)C 271570a_100010240233_100102526192 [0,2,0,0,0,0|2,0,0]=4 599 B20R3.742 COc1cc(c2nc[nH]c2c1)C3=CCC(CC3)O 271570a_100010254553_100102526192 [0,2,0,0,0,0|2,0,0]=4 600 B20R3.742 N#Cc1cc(c2cc[nH]c2c1)C3=CCC(CC3)O 271570a_100010254553_100000694428 [0,2,0,0,0,0|1,0,1]=4 601 B20R3.22847 COc1cc(c2cc[nH]c2c1)C3=CC(=O)CCC3 271570a_100000723966_100010006585 [0,2,0,0,0,0|1,0,1]=4 602 B20R3.146687 Cn1cc(c2ccn(c2c1=O)C)C3=CCCCC3 271570a_100000062251_202515421073 [0,2,0,0,0,0|2,0,0]=4 603 B20R3.12659 CC1(CC=C(CC1)c2cc(cc3c2cc[nH]3)Br)C 271570a_100000069032_100009814761 [0,2,0,0,0,0|2,0,0]=4 604 B20R3.12659 CC1(CC=C(CC1)c2cc(cc3c2cc[nH]3)F)C 271570a_100000069032_100010188273 [0,2,0,0,0,0|2,0,0]=4 605 B20R3.12659 CC1(CC=C(CC1)c2cc(cc3c2cc[nH]3)N)C 271570a_100000069032_100010006569 [0,2,0,0,0,0|2,0,0]=4 606 B20R3.12659 Cc1cc(c2cc[nH]c2c1)C3=CCC(CC3)(C)C 271570a_100000069032_100010186026 [0,2,0,0,0,0|1,0,0]=3 607 B20R3.12659 Cc1cc(c2cc[nH]c2c1)C3=CCC(CC3)(F)F 271570a_100010243660_100010186026 [0,2,0,0,0,0|1,0,0]=3 608 B20R3.12659 Cc1cc(c2cc[nH]c2n1)C3=CCC(CC3)(C)C 271570a_100000069032_100000095047 [0,2,0,0,0,0|2,0,0]=4 609 B20R3.12659 Cc1cc(c2cc[nH]c2n1)C3=CCC(CC3)(F)F 271570a_100010243660_100000095047 [0,2,0,0,0,0|2,0,0]=4 610 B20R3.12659 Cc1cc(c2cn[nH]c2c1)C3=CCC(CC3)(C)C 271570a_100000069032_100009816876 [0,2,0,0,0,0|2,0,0]=4 611 B20R3.12659 Cc1cc(c2cn[nH]c2c1)C3=CCC(CC3)(F)F 271570a_100010243660_100009816876 [0,2,0,0,0,0|2,0,0]=4 612 B20R3.12659 FC1(CC=C(CC1)c2cc(cc3c2cc[nH]3)Br)F 271570a_100010243660_100009814761 [0,2,0,0,0,0|2,0,0]=4 613 B20R3.12659 Fc1cc(c2cc[nH]c2c1)C3=CCC(CC3)(F)F 271570a_100010243660_100010188273 [0,2,0,0,0,0|2,0,0]=4 614 B20R3.12659 Nc1cc(c2cc[nH]c2c1)C3=CCC(CC3)(F)F 271570a_100010243660_100010006569 [0,2,0,0,0,0|2,0,0]=4 615 B20R3.109841 CCC1CC=C(CC1)c2cc(cc3c2cc[nH]3)Br 271570a_200010144120_100009814761 [0,2,0,0,0,0|2,0,0]=4 616 B20R3.109841 CCC1CC=C(CC1)c2cc(cc3c2cc[nH]3)C 271570a_200010144120_100010186026 [0,2,0,0,0,0|1,0,0]=3 617 B20R3.109841 CCC1CC=C(CC1)c2cc(cc3c2cc[nH]3)F 271570a_200010144120_100010188273 [0,2,0,0,0,0|2,0,0]=4 618 B20R3.109841 CCC1CC=C(CC1)c2cc(cc3c2cc[nH]3)N 271570a_200010144120_100010006569 [0,2,0,0,0,0|2,0,0]=4 619 B20R3.109841 CCC1CC=C(CC1)c2cc(cc3c2cn[nH]3)C 271570a_200010144120_100009816876 [0,2,0,0,0,0|2,0,0]=4 620 B20R3.109841 CCC1CC=C(CC1)c2cc(nc3c2cc[nH]3)C 271570a_200010144120_100000095047 [0,2,0,0,0,0|2,0,0]=4 621 B20R3.109841 COC1CC=C(CC1)c2cc(cc3c2cc[nH]3)Br 271570a_100010144119_100009814761 [0,2,0,0,0,0|2,0,0]=4 622 B20R3.109841 COC1CC=C(CC1)c2cc(cc3c2cc[nH]3)C 271570a_100010144119_100010186026 [0,2,0,0,0,0|1,0,0]=3 623 B20R3.109841 COC1CC=C(CC1)c2cc(cc3c2cc[nH]3)F 271570a_100010144119_100010188273 [0,2,0,0,0,0|2,0,0]=4 624 B20R3.109841 COC1CC=C(CC1)c2cc(cc3c2cc[nH]3)N 271570a_100010144119_100010006569 [0,2,0,0,0,0|2,0,0]=4 625 B20R3.109841 COC1CC=C(CC1)c2cc(cc3c2cn[nH]3)C 271570a_100010144119_100009816876 [0,2,0,0,0,0|2,0,0]=4 626 B20R3.109841 COC1CC=C(CC1)c2cc(nc3c2cc[nH]3)C 271570a_100010144119_100000095047 [0,2,0,0,0,0|2,0,0]=4 627 B20R3.109841 Cc1cc(c2cc[nH]c2c1)C3=CCC(CC3)C#N 271570a_100010254552_100010186026 [0,2,0,0,0,0|1,0,0]=3 628 B20R3.109841 Cc1cc(c2cc[nH]c2n1)C3=CCC(CC3)C#N 271570a_100010254552_100000095047 [0,2,0,0,0,0|2,0,0]=4 629 B20R3.109841 Cc1cc(c2cn[nH]c2c1)C3=CCC(CC3)C#N 271570a_100010254552_100009816876 [0,2,0,0,0,0|2,0,0]=4 630 B20R3.109841 N#CC1CC=C(CC1)c2cc(cc3c2cc[nH]3)Br 271570a_100010254552_100009814761 [0,2,0,0,0,0|2,0,0]=4 631 B20R3.109841 N#CC1CC=C(CC1)c2cc(cc3c2cc[nH]3)F 271570a_100010254552_100010188273 [0,2,0,0,0,0|2,0,0]=4 632 B20R3.109841 N#CC1CC=C(CC1)c2cc(cc3c2cc[nH]3)N 271570a_100010254552_100010006569 [0,2,0,0,0,0|2,0,0]=4 633 B18R3.6550 Brc1cc(cc2c1cc[nH]2)C3=CCCCC3 271570a_100000062251_100009814775 [0,0,1,1,0,0|2,0,0]=4 634 B18R3.6550 Cc1cc(cc2c1cn[nH]2)C3=CCCCC3 271570a_100000062251_100009816875 [0,0,1,1,0,0|2,0,0]=4 635 B18R3.6550 Cc1cc(cc2c1nc[nH]2)C3=CCCCC3 271570a_100000062251_100000239325 [0,0,1,1,0,0|2,0,0]=4 636 B18R3.6550 Fc1cc(cc2c1cc[nH]2)C3=CCCCC3 271570a_100000062251_100010186028 [0,0,1,1,0,0|2,0,0]=4 637 B18R3.6550 Nc1cc(cc2c1cc[nH]2)C3=CCCCC3 271570a_100000062251_106744500199 [0,0,1,1,0,0|2,0,0]=4 638 B18R3.6125 Brc1cc(c2cc[nH]c2c1)C=C3CCCC3 271570a_100010378317_100009814761 [0,0,1,1,0,0|2,0,0]=4 639 B18R3.6125 Cc1cc(c2cc[nH]c2c1)C=C3CCCC3 271570a_100010378317_100010186026 [0,0,1,1,0,0|1,0,0]=3 640 B18R3.6125 Cc1cc(c2cc[nH]c2n1)C=C3CCCC3 271570a_100010378317_100000095047 [0,0,1,1,0,0|2,0,0]=4 641 B18R3.6125 Cc1cc(c2cn[nH]c2c1)C=C3CCCC3 271570a_100010378317_100009816876 [0,0,1,1,0,0|2,0,0]=4 642 B18R3.6125 Fc1cc(c2cc[nH]c2c1)C=C3CCCC3 271570a_100010378317_100010188273 [0,0,1,1,0,0|2,0,0]=4 643 B18R3.6125 Nc1cc(c2cc[nH]c2c1)C=C3CCCC3 271570a_100010378317_100010006569 [0,0,1,1,0,0|2,0,0]=4 644 B16R2.10937 Cc1cc(c(c(c1)C2=CCCC2)C=O)F 271570a_100000089523_100010341274 [0,0,1,0,1,0|2,0,0]=4 645 B16R3.5924 C1=C(CCC1)c2cccc3c2CCN3 271570a_100000089523_100009817896 [1,0,0,0,1,0|0,0,2]=4 646 B16R3.5924 C1=C(CCC1)c2cccc3c2[nH]cc3 271570a_100000089523_100009813418 [1,0,0,0,1,0|2,0,0]=4 647 B16R3.5924 C1=C(CCC1)c2cccc3c2cc[nH]3 271570a_100000089523_100000685724 [1,0,0,0,1,0|0,0,0]=2 648 B16R3.5924 C1=C(CCC1)c2cccc3c2cco3 271570a_100000089523_100000756496 [1,0,0,0,1,0|1,0,0]=3 649 B16R3.5924 C1=C(CCC1)c2cccc3c2ccs3 271570a_100000089523_100009816950 [1,0,0,0,1,0|1,0,0]=3 650 B16R3.5924 C1=C(CCC1)c2cccc3c2cn[nH]3 271570a_100000089523_100000753301 [1,0,0,0,1,0|1,0,0]=3 651 B16R3.5924 C1=C(CCC1)c2cccc3c2cno3 271570a_100000089523_100009818589 [1,0,0,0,1,0|2,0,0]=4 652 B16R3.5924 C1=C(CCC1)c2cccc3c2nc[nH]3 271570a_100000089523_100011935113 [1,0,0,0,1,0|1,0,0]=3 653 B16R3.5924 C1=C(CCC1)c2cccc3c2nco3 271570a_100000089523_100009816834 [1,0,0,0,1,0|2,0,0]=4 654 B16R3.5924 C1=C(CCC1)c2cccc3c2ncs3 271570a_100000089523_100000726125 [1,0,0,0,1,0|2,0,0]=4 655 B16R3.5924 C1=C(CCC1)c2cccc3c2occ3 271570a_100000089523_100011935138 [1,0,0,0,1,0|2,0,0]=4 656 B16R3.5924 C1=C(CCC1)c2cccc3c2ocn3 271570a_100000089523_100000728214 [1,0,0,0,1,0|1,0,1]=4 657 B16R3.5924 C1=C(CCC1)c2cccc3c2scc3 271570a_100000089523_100000766737 [1,0,0,0,1,0|2,0,0]=4 658 B16R3.5924 C1=C(CCC1)c2cccc3c2scn3 271570a_100000089523_100010246326 [1,0,0,0,1,0|1,0,1]=4 659 B16R3.5924 C1=C(CCC1)c2cccc3n2ccn3 271570a_100000089523_100000762677 [1,0,0,0,1,0|1,0,1]=4 660 B16R3.5924 C1=C(CCC1)c2cccn3c2ccn3 271570a_100000089523_100010767162 [1,0,0,0,1,0|1,0,1]=4 661 B16R3.5924 C1=C(CCC1)c2ccnc3c2cc[nH]3 271570a_100000089523_100000049914 [1,0,0,0,1,0|1,0,0]=3 662 B16R3.5924 C1=C(CCC1)c2ccnc3c2ccs3 271570a_100000089523_100009861243 [1,0,0,0,1,0|2,0,0]=4 663 B16R3.5924 C1=C(CCC1)c2ccnc3c2cn[nH]3 271570a_100000089523_100009819725 [1,0,0,0,1,0|2,0,0]=4 664 B16R3.5924 C1=C(CCC1)c2ccnc3c2nc[nH]3 271570a_100000089523_100009820729 [1,0,0,0,1,0|2,0,0]=4 665 B16R3.5924 C1=C(CCC1)c2cncc3c2cc[nH]3 271570a_100000089523_100009840476 [1,0,0,0,1,0|1,0,0]=3 666 B16R3.5924 C1=C(CCC1)c2cncc3c2cn[nH]3 271570a_100000089523_100009819959 [1,0,0,0,1,0|2,0,0]=4 667 B16R3.5924 C1=C(CCC1)c2nccc3c2cc[nH]3 271570a_100000089523_100000086534 [1,0,0,0,1,0|1,0,0]=3 668 B16R3.5924 C1=C(CCC1)c2nccc3c2cco3 271570a_100000089523_100000041166 [1,0,0,0,1,0|2,0,0]=4 669 B16R3.5924 C1=C(CCC1)c2nccc3c2ccs3 271570a_100000089523_100000047778 [1,0,0,0,1,0|2,0,0]=4 670 B16R3.5924 C1=C(CCC1)c2nccc3c2cn[nH]3 271570a_100000089523_100102525074 [1,0,0,0,1,0|2,0,0]=4 671 B16R3.5924 C1=C(CCC1)c2nccc3c2nc[nH]3 271570a_100000089523_100009820035 [1,0,0,0,1,0|2,0,0]=4 672 B16R3.5924 C1=C(CCO1)c2cccc3c2cc[nH]3 271570a_100000118173_100000685724 [1,0,0,0,1,0|1,0,0]=3 673 B16R3.5924 C1=C(CCO1)c2cccc3c2cco3 271570a_100000118173_100000756496 [1,0,0,0,1,0|2,0,0]=4 674 B16R3.5924 C1=C(CCO1)c2cccc3c2ccs3 271570a_100000118173_100009816950 [1,0,0,0,1,0|2,0,0]=4 675 B16R3.5924 C1=C(CCO1)c2cccc3c2cn[nH]3 271570a_100000118173_100000753301 [1,0,0,0,1,0|2,0,0]=4 676 B16R3.5924 C1=C(CCO1)c2cccc3c2nc[nH]3 271570a_100000118173_100011935113 [1,0,0,0,1,0|2,0,0]=4 677 B16R3.5924 C1=C(CCO1)c2ccnc3c2cc[nH]3 271570a_100000118173_100000049914 [1,0,0,0,1,0|2,0,0]=4 678 B16R3.5924 C1=C(CCO1)c2cncc3c2cc[nH]3 271570a_100000118173_100009840476 [1,0,0,0,1,0|2,0,0]=4 679 B16R3.5924 C1=C(CCO1)c2nccc3c2cc[nH]3 271570a_100000118173_100000086534 [1,0,0,0,1,0|2,0,0]=4 680 B16R3.5924 C1=C(COC1)c2cccc3c2cc[nH]3 271570a_100009872500_100000685724 [1,0,0,0,1,0|1,0,0]=3 681 B16R3.5924 C1=C(COC1)c2cccc3c2cco3 271570a_100009872500_100000756496 [1,0,0,0,1,0|2,0,0]=4 682 B16R3.5924 C1=C(COC1)c2cccc3c2ccs3 271570a_100009872500_100009816950 [1,0,0,0,1,0|2,0,0]=4 683 B16R3.5924 C1=C(COC1)c2cccc3c2cn[nH]3 271570a_100009872500_100000753301 [1,0,0,0,1,0|2,0,0]=4 684 B16R3.5924 C1=C(COC1)c2cccc3c2nc[nH]3 271570a_100009872500_100011935113 [1,0,0,0,1,0|2,0,0]=4 685 B16R3.5924 C1=C(COC1)c2ccnc3c2cc[nH]3 271570a_100009872500_100000049914 [1,0,0,0,1,0|2,0,0]=4 686 B16R3.5924 C1=C(COC1)c2cncc3c2cc[nH]3 271570a_100009872500_100009840476 [1,0,0,0,1,0|2,0,0]=4 687 B16R3.5924 C1=C(COC1)c2nccc3c2cc[nH]3 271570a_100009872500_100000086534 [1,0,0,0,1,0|2,0,0]=4 688 B16R3.5924 C1=Cc2cccc(c2C1)C3=CCCC3 271570a_100000089523_100009844718 [1,0,0,0,1,0|1,0,1]=4 689 B16R3.5924 c1cc(c2cc[nH]c2c1)c3cc[nH]c3 271570a_100000102155_100000685724 [1,0,0,0,1,0|0,0,2]=4 690 B16R3.5924 c1cc(c2cc[nH]c2c1)c3cc[nH]n3 271570a_100000062414_100000685724 [1,0,0,0,1,0|1,0,1]=4 691 B16R3.5924 c1cc(c2cc[nH]c2c1)c3cc[nH]n3 271570a_100000069030_100000062575 [1,0,0,0,1,0|1,0,1]=4 692 B16R3.5924 c1cc(c2cc[nH]c2c1)c3cn[nH]c3 271570a_100000041997_100000685724 [1,0,0,0,1,0|1,0,1]=4 693 B16R3.5924 c1cc(c2cc[nH]c2c1)c3cn[nH]c3 271570a_100000069030_100000238712 [1,0,0,0,1,0|1,0,1]=4 694 B18R2.75342 CCCCC=Cc1cc(cc2c1nccc2)C 271570a_100016275911_100010113427 [0,0,1,0,0,1|2,0,0]=4 695 B18R3.2108 C1=C(CCCC1)c2cccc3c2cccc3 271570a_100000062251_100000210605 [1,0,0,0,0,1|2,0,0]=4 696 B18R3.2108 C1=C(CCCC1)c2cccc3c2cccn3 271570a_100000062251_100011290932 [1,0,0,0,0,1|1,0,1]=4 697 B18R3.2108 C1=C(CCCC1)c2cccc3c2ccnc3 271570a_100000062251_100000186358 [1,0,0,0,0,1|1,0,1]=4 698 B18R3.2108 C1=C(CCCC1)c2cccc3c2cncc3 271570a_100000062251_100000685578 [1,0,0,0,0,1|2,0,0]=4 699 B18R3.2108 C1=C(CCCC1)c2cccc3c2cncn3 271570a_100000062251_100009814520 [1,0,0,0,0,1|1,0,1]=4 700 B18R3.2108 C1=C(CCCC1)c2cccc3c2nccc3 271570a_100000062251_100011215545 [1,0,0,0,0,1|2,0,0]=4 701 B18R3.2108 C1=C(CCCC1)c2cccc3c2nccn3 271570a_100000062251_100010003881 [1,0,0,0,0,1|1,0,1]=4 702 B18R3.1440748 C1=C(CCCCC1)c2cccc3c2cc[nH]3 271570a_200009888920_100000685724 [1,0,0,0,0,1|1,0,0]=3 703 B18R3.1440748 C1=C(CCCCC1)c2cccc3c2cco3 271570a_200009888920_100000756496 [1,0,0,0,0,1|2,0,0]=4 704 B18R3.1440748 C1=C(CCCCC1)c2cccc3c2ccs3 271570a_200009888920_100009816950 [1,0,0,0,0,1|2,0,0]=4 705 B18R3.1440748 C1=C(CCCCC1)c2cccc3c2cn[nH]3 271570a_200009888920_100000753301 [1,0,0,0,0,1|2,0,0]=4 706 B18R3.1440748 C1=C(CCCCC1)c2cccc3c2nc[nH]3 271570a_200009888920_100011935113 [1,0,0,0,0,1|2,0,0]=4 707 B18R3.1440748 C1=C(CCCCC1)c2ccnc3c2cc[nH]3 271570a_200009888920_100000049914 [1,0,0,0,0,1|2,0,0]=4 708 B18R3.1440748 C1=C(CCCCC1)c2cncc3c2cc[nH]3 271570a_200009888920_100009840476 [1,0,0,0,0,1|2,0,0]=4 709 B18R3.1440748 C1=C(CCCCC1)c2nccc3c2cc[nH]3 271570a_200009888920_100000086534 [1,0,0,0,0,1|2,0,0]=4 710 B18R3.171 Cc1cc2[nH]ccc2cc1C3=CCCCC3 271570a_100000062251_100010199648 [0,0,0,0,1,1|1,0,0]=3 711 B18R3.171 Cc1cc2[nH]ccc2cc1C3=CCCCO3 271570a_100010177797_100010199648 [0,0,0,0,1,1|2,0,0]=4 712 B18R3.171 Cc1cc2[nH]ccc2cc1C3=CCNCC3 271570a_100000731432_100010199648 [0,0,0,0,1,1|2,0,0]=4 713 B18R3.171 Cc1cc2[nH]ccc2cc1C3=CCOCC3 271570a_100000070234_100010199648 [0,0,0,0,1,1|2,0,0]=4 714 B18R3.171 Cc1cc2[nH]ccc2cc1C3=CCSCC3 271570a_100010232141_100010199648 [0,0,0,0,1,1|2,0,0]=4 715 B18R3.171 Cc1cc2[nH]ccc2cc1C3=COCCC3 271570a_100010175576_100010199648 [0,0,0,0,1,1|2,0,0]=4 716 B18R3.171 Cc1cc2[nH]ncc2cc1C3=CCCCC3 271570a_100000062251_100009816927 [0,0,0,0,1,1|2,0,0]=4 717 B18R3.171 Cc1nc2[nH]ccc2cc1C3=CCCCC3 271570a_100000062251_100010212563 [0,0,0,0,1,1|2,0,0]=4 718 B18R3.171 Cc1nc2[nH]ccc2nc1C3=CCCCC3 271570a_100000062251_200010174982 [0,0,0,0,1,1|2,0,0]=4 719 B18R3.171 Fc1cc2[nH]ccc2cc1C3=CCCCC3 271570a_100000062251_100000731065 [0,0,0,0,1,1|2,0,0]=4 720 B18R3.171 Nc1cc2[nH]ccc2cc1C3=CCCCC3 271570a_100000062251_100010212544 [0,0,0,0,1,1|2,0,0]=4 721 B20R3.12656 Brc1cc(c2cc[nH]c2c1)C=CC3=CCCCC3 271570a_100000069214_100009814761 [0,0,0,0,0,2|2,0,0]=4 722 B20R3.12656 Cc1cc(c2cc[nH]c2c1)C=CC3=CCCCC3 271570a_100000069214_100010186026 [0,0,0,0,0,2|1,0,0]=3 723 B20R3.12656 Cc1cc(c2cc[nH]c2n1)C=CC3=CCCCC3 271570a_100000069214_100000095047 [0,0,0,0,0,2|2,0,0]=4 724 B20R3.12656 Cc1cc(c2cn[nH]c2c1)C=CC3=CCCCC3 271570a_100000069214_100009816876 [0,0,0,0,0,2|2,0,0]=4 725 B20R3.12656 Fc1cc(c2cc[nH]c2c1)C=CC3=CCCCC3 271570a_100000069214_100010188273 [0,0,0,0,0,2|2,0,0]=4 726 B20R3.12656 Nc1cc(c2cc[nH]c2c1)C=CC3=CCCCC3 271570a_100000069214_100010006569 [0,0,0,0,0,2|2,0,0]=4 727 B20R3.260818 Cc1cc(c2ncccc2c1)C3=CCCCCC3 271570a_200009888920_100010113427 [0,0,0,0,0,2|2,0,0]=4